1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine

C16H35N3 — CID 102992323

IUPAC1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
SMILESCCN(CCCN(C)C)C1CCCC(C)(C)C1NC
InChIInChI=1S/C16H35N3/c1-7-19(13-9-12-18(5)6)14-10-8-11-16(2,3)15(14)17-4/h14-15,17H,7-13H2,1-6H3
InChIKeyKBPPCPWQEOOSIG-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds7

About 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine

1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine (PubChem CID 102992323) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
PubChem CID102992323
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
SMILESCCN(CCCN(C)C)C1CCCC(C)(C)C1NC
InChIInChI=1S/C16H35N3/c1-7-19(13-9-12-18(5)6)14-10-8-11-16(2,3)15(14)17-4/h14-15,17H,7-13H2,1-6H3
InChIKeyKBPPCPWQEOOSIG-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-Dimethylcyclohexyl)piperazine
CID 64467057
3-(2,2-dimethylpropyl)-3-ethyl-1-N-(4-fluoro-3-methylcyclohexyl)-1-N-hexyl-2-N,5,5-trimethylhexane-1,2-diamine
CID 134286891
4,4-dimethyl-1-N,2-N-dipropyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 64417522
4,4-dimethyl-2-N-propan-2-yl-1-N-propyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 64417917
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828362
2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine
CID 79828387
1-N,3,3-trimethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828428
2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828448
1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828593
1-N,3,3-trimethyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828594
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828674
3,3-dimethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79829180

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine (CID 102992323) is 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine is CCN(CCCN(C)C)C1CCCC(C)(C)C1NC.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine?
The InChIKey is KBPPCPWQEOOSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-19(13-9-12-18(5)6)14-10-8-11-16(2,3)15(14)17-4/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine?
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 102992323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).