N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine

C16H32N2 — CID 63854641

IUPACN-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-11-17-14(2)15-8-7-12-18(13-15)16-9-5-4-6-10-16/h14-17H,3-13H2,1-2H3
InChIKeyXJHHBZOGLDUGNT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine

N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine (PubChem CID 63854641) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
PubChem CID63854641
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-11-17-14(2)15-8-7-12-18(13-15)16-9-5-4-6-10-16/h14-17H,3-13H2,1-2H3
InChIKeyXJHHBZOGLDUGNT-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]ethyl]propan-1-amine
CID 79902799
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
N-methyl-1-[1-(4-methylcyclohexyl)piperidin-3-yl]ethanamine
CID 64748054
1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine
CID 64739146
N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen
CID 177368161
1-cyclohexyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995937
1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
CID 63855346
N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63852890

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine (CID 63854641) is N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine is CCCNC(C)C1CCCN(C2CCCCC2)C1.
What is the InChIKey of N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine?
The InChIKey is XJHHBZOGLDUGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-11-17-14(2)15-8-7-12-18(13-15)16-9-5-4-6-10-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine?
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63854641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).