N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine

C18H35N3 — CID 62561082

IUPACN-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCN2CCN(C3CCCC3)CC2)C1
InChIInChI=1S/C18H35N3/c1-16-5-4-6-17(15-16)19-9-10-20-11-13-21(14-12-20)18-7-2-3-8-18/h16-19H,2-15H2,1H3
InChIKeyFPKPONJEDYUQRD-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine

N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 62561082) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID62561082
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCN2CCN(C3CCCC3)CC2)C1
InChIInChI=1S/C18H35N3/c1-16-5-4-6-17(15-16)19-9-10-20-11-13-21(14-12-20)18-7-2-3-8-18/h16-19H,2-15H2,1H3
InChIKeyFPKPONJEDYUQRD-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine with MolForge

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Related Compounds

3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 55024069
3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 62573742
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 63620169
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine
CID 63979129
3-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170964
3-methyl-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43181773
N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine
CID 63167443
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclohexan-1-amine
CID 66372208
N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanamine
CID 62574223
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine (CID 62561082) is N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCCN2CCN(C3CCCC3)CC2)C1.
What is the InChIKey of N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is FPKPONJEDYUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-16-5-4-6-17(15-16)19-9-10-20-11-13-21(14-12-20)18-7-2-3-8-18/h16-19H,2-15H2,1H3.
What are the key properties of N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine?
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 62561082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).