Chemical ID: 6373513

CC(C)CC(=O)N1CCCN(CC1)C(=O)CC(C)C
Chemical ID:
6373513
Name [?]:
3-methyl-1-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-butan-1-one
SMILES [?]:
CC(C)CC(=O)N1CCCN(CC1)C(=O)CC(C)C
InChi [?]:
InChI=1/C15H28N2O2/c1-12(2)10-14(18)16-6-5-7-17(9-8-16)15(19)11-13(3)4/h12-13H,5-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,9,8,10,13,12,4,16,2,17,5,14,7,11,6,15/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:19nCCCCCONCCCNCCCOCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;s7s12;s11;d14;s14;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H28N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.79603
Area:473.317
Solvation:-3.03689
Coulombic:-31.1808
Bond Count [?]
All:19
Single:17
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:268.395
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.3
LogP (Chemaxon):1.33

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Descriptor Annotations

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