N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine

C18H36N2 — CID 91201253

IUPACN-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
SMILESCCCCCCN1CCC(NCC2CCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-2-3-4-8-13-20-14-11-18(12-15-20)19-16-17-9-6-5-7-10-17/h17-19H,2-16H2,1H3
InChIKeyCLVBHDQVXSCALD-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds8

About N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine

N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine (PubChem CID 91201253) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
PubChem CID91201253
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
SMILESCCCCCCN1CCC(NCC2CCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-2-3-4-8-13-20-14-11-18(12-15-20)19-16-17-9-6-5-7-10-17/h17-19H,2-16H2,1H3
InChIKeyCLVBHDQVXSCALD-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-N-ethylpiperidin-4-amine
CID 63400728
1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386509
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682
N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
CID 115307344
1-butyl-N-ethylpiperidin-4-amine
CID 43314967
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
CID 162323144
CID 162323144
1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine
CID 106637748

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine (CID 91201253) is N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine is CCCCCCN1CCC(NCC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine?
The InChIKey is CLVBHDQVXSCALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-2-3-4-8-13-20-14-11-18(12-15-20)19-16-17-9-6-5-7-10-17/h17-19H,2-16H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine?
N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine is sourced from PubChem (CID 91201253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).