2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine

C16H35N3 — CID 103191827

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine
SMILESCCN(CCNC1CCCCC1C)C(C)CN(C)C
InChIInChI=1S/C16H35N3/c1-6-19(15(3)13-18(4)5)12-11-17-16-10-8-7-9-14(16)2/h14-17H,6-13H2,1-5H3
InChIKeyWIAZBYHWLUGMJQ-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds8

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine (PubChem CID 103191827) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine
PubChem CID103191827
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine
SMILESCCN(CCNC1CCCCC1C)C(C)CN(C)C
InChIInChI=1S/C16H35N3/c1-6-19(15(3)13-18(4)5)12-11-17-16-10-8-7-9-14(16)2/h14-17H,6-13H2,1-5H3
InChIKeyWIAZBYHWLUGMJQ-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine with MolForge

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Related Compounds

2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
CID 115688826
N-(2-methylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 65046367
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62555461
N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62554475
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63502730
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208841

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine (CID 103191827) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine is CCN(CCNC1CCCCC1C)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine?
The InChIKey is WIAZBYHWLUGMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-19(15(3)13-18(4)5)12-11-17-16-10-8-7-9-14(16)2/h14-17H,6-13H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine is sourced from PubChem (CID 103191827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).