Chemical ID: 7090769

C1CCN(C1)CCCN2CCCNCC2
Chemical ID:
7090769
Name [?]:
1-(3-pyrrolidin-1-ylpropyl)-1,4-diazepane
SMILES [?]:
C1CCN(C1)CCCN2CCCNCC2
InChi [?]:
InChI=1/C12H25N3/c1-2-8-14(7-1)10-4-11-15-9-3-5-13-6-12-15/h13H,1-12H2
InChi Info:
AuxInfo=1/0/N:1,2,11,7,12,14,5,3,10,6,8,15,13,4,9/E:(1,2)(7,8)/rA:15cCCCNCCCCNCCCNCC/rB:s1;s2;s3;s1s4;s4;s6;s7;s8;s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H25N3
All Atoms:40
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.53314
Area:407.395
Solvation:-1.65173
Coulombic:-18.3566
Bond Count [?]
All:16
Single:16
Double:0
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:211.347
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.54
LogP (Chemaxon):0.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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