3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine

C16H33N3 — CID 62573742

IUPAC3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESCCCN1CCN(CCNC2CCCC(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-3-8-18-10-12-19(13-11-18)9-7-17-16-6-4-5-15(2)14-16/h15-17H,3-14H2,1-2H3
InChIKeyBOKVPNWZIDFVSS-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds6

About 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine

3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 62573742) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID62573742
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESCCCN1CCN(CCNC2CCCC(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-3-8-18-10-12-19(13-11-18)9-7-17-16-6-4-5-15(2)14-16/h15-17H,3-14H2,1-2H3
InChIKeyBOKVPNWZIDFVSS-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 55024069
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 62561082
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 63620169
N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine
CID 63979129
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-methyl-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43181773
N-(3-methylcyclohexyl)-1-propylazepan-4-amine
CID 65074489
N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine
CID 63167443
3-methyl-N-(2-morpholin-4-ylethyl)cyclopentan-1-amine
CID 23767314
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclohexan-1-amine
CID 66372208

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine (CID 62573742) is 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine is CCCN1CCN(CCNC2CCCC(C)C2)CC1.
What is the InChIKey of 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is BOKVPNWZIDFVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-8-18-10-12-19(13-11-18)9-7-17-16-6-4-5-15(2)14-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62573742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).