2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine

C16H35N3 — CID 102992390

IUPAC2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
SMILESCCN(CCCN(C)C)C1C(C)CC(C)CC1NC
InChIInChI=1S/C16H35N3/c1-7-19(10-8-9-18(5)6)16-14(3)11-13(2)12-15(16)17-4/h13-17H,7-12H2,1-6H3
InChIKeyICBBTAXRGQNAIR-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds7

About 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine (PubChem CID 102992390) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
PubChem CID102992390
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
SMILESCCN(CCCN(C)C)C1C(C)CC(C)CC1NC
InChIInChI=1S/C16H35N3/c1-7-19(10-8-9-18(5)6)16-14(3)11-13(2)12-15(16)17-4/h13-17H,7-12H2,1-6H3
InChIKeyICBBTAXRGQNAIR-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64724627
2-N-ethyl-1-N,3,5-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724640
2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751735
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724829
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-3,5-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64751354
1-N,2-N,3,5-tetramethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 64724225
2-N-(2,2-dimethylpropyl)-1-N,2-N,3,5-tetramethylcyclohexane-1,2-diamine
CID 64753530
2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78998617
2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191408
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 64724849

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine (CID 102992390) is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine is CCN(CCCN(C)C)C1C(C)CC(C)CC1NC.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine?
The InChIKey is ICBBTAXRGQNAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-19(10-8-9-18(5)6)16-14(3)11-13(2)12-15(16)17-4/h13-17H,7-12H2,1-6H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 102992390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).