Chemical ID: 5107379

CC(C)(C)C1CCC2(CC1)CCN(CC2)CCCN3CCCCCC3
Chemical ID:
5107379
Name [?]:
9-(3-azepan-1-ylpropyl)-3-tert-butyl-9-azaspiro[5.5]undecane
SMILES [?]:
CC(C)(C)C1CCC2(CC1)CCN(CC2)CCCN3CCCCCC3
InChi [?]:
InChI=1/C23H44N2/c1-22(2,3)21-9-11-23(12-10-21)13-19-25(20-14-23)18-8-17-24-15-6-4-5-7-16-24/h21H,4-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,22,23,21,24,17,6,10,7,9,11,15,20,25,18,16,12,14,5,2,8,19,13/E:(1,2,3)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:25nCCCCCCCCCCCCNCCCCCNCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;s12;s13;s8s14;s13;s16;s17;s18;s19;s20;s21;s22;s23;s19s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H44N2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:13.2356
Area:577.748
Solvation:-1.20812
Coulombic:-12.8529
Bond Count [?]
All:27
Single:27
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.609
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.03
LogP (Chemaxon):4.97

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Descriptor Annotations

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