2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine

C16H32N2 — CID 62703317

IUPAC2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)C1CCCC1
InChIInChI=1S/C16H32N2/c1-12(2)13-9-10-15(17-3)16(11-13)18(4)14-7-5-6-8-14/h12-17H,5-11H2,1-4H3
InChIKeyYNPXRLAPLYWBSD-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds4

About 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine

2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 62703317) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID62703317
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)C1CCCC1
InChIInChI=1S/C16H32N2/c1-12(2)13-9-10-15(17-3)16(11-13)18(4)14-7-5-6-8-14/h12-17H,5-11H2,1-4H3
InChIKeyYNPXRLAPLYWBSD-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63466974
2-N-(cyclohexylmethyl)-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469233
2-[[cyclohexyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63483970
2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469021
2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63694683
cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 97170112
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006
2-[cyclopentyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62704902
2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55219366
2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708407
1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 62701626

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine (CID 62703317) is 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine is CNC1CCC(C(C)C)CC1N(C)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is YNPXRLAPLYWBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)13-9-10-15(17-3)16(11-13)18(4)14-7-5-6-8-14/h12-17H,5-11H2,1-4H3.
What are the key properties of 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 62703317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).