2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine

C18H35N3 — CID 64736642

IUPAC2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCN(C3CCCC3)CC2)C(N)C1
InChIInChI=1S/C18H35N3/c1-14-11-15(2)17(18(19)12-14)13-20-7-9-21(10-8-20)16-5-3-4-6-16/h14-18H,3-13,19H2,1-2H3
InChIKeyVXTWGDWDBJXBQB-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.56
Rot. Bonds3

About 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine

2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64736642) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64736642
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCN(C3CCCC3)CC2)C(N)C1
InChIInChI=1S/C18H35N3/c1-14-11-15(2)17(18(19)12-14)13-20-7-9-21(10-8-20)16-5-3-4-6-16/h14-18H,3-13,19H2,1-2H3
InChIKeyVXTWGDWDBJXBQB-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
CID 64736403
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734682
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 64735862
[1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 64735025
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736208
3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine
CID 64735469
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 64734685
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
CID 81200535
3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 113418838
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734690
2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735456

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 64736642) is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)C(CN2CCN(C3CCCC3)CC2)C(N)C1.
What is the InChIKey of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is VXTWGDWDBJXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-14-11-15(2)17(18(19)12-14)13-20-7-9-21(10-8-20)16-5-3-4-6-16/h14-18H,3-13,19H2,1-2H3.
What are the key properties of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64736642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).