2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine

C17H32N2 — CID 64751181

IUPAC2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine
SMILESCCNC1CC(C)CC(C)C1N(CC1CC1)C1CC1
InChIInChI=1S/C17H32N2/c1-4-18-16-10-12(2)9-13(3)17(16)19(15-7-8-15)11-14-5-6-14/h12-18H,4-11H2,1-3H3
InChIKeyYFISVIBRHKPGOI-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.27
Rot. Bonds6

About 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine

2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine (PubChem CID 64751181) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine
PubChem CID64751181
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine
SMILESCCNC1CC(C)CC(C)C1N(CC1CC1)C1CC1
InChIInChI=1S/C17H32N2/c1-4-18-16-10-12(2)9-13(3)17(16)19(15-7-8-15)11-14-5-6-14/h12-18H,4-11H2,1-3H3
InChIKeyYFISVIBRHKPGOI-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(methyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64737005
2-N-(cyclopropylmethyl)-3,5-dimethyl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64752522
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-3,5-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64751354
1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 64722812
2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78998617
2-N,3,5-trimethyl-2-N-(4-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64751336
1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 64724849
2-N-cyclopentyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64723407
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
2-[[cyclopropylmethyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736455
2-N,3,5-trimethyl-2-N-(2-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750765
2-[cyclopropylmethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751878

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine (CID 64751181) is 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine is CCNC1CC(C)CC(C)C1N(CC1CC1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine?
The InChIKey is YFISVIBRHKPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-18-16-10-12(2)9-13(3)17(16)19(15-7-8-15)11-14-5-6-14/h12-18H,4-11H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine?
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine has a molecular weight of 264.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 64751181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).