N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine

C17H32N2 — CID 43308101

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine
SMILESCCN1CCCC(C(C)NCCC2=CCCCC2)C1
InChIInChI=1S/C17H32N2/c1-3-19-13-7-10-17(14-19)15(2)18-12-11-16-8-5-4-6-9-16/h8,15,17-18H,3-7,9-14H2,1-2H3
InChIKeyQYBZNCCVFKWWRY-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine

N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine (PubChem CID 43308101) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine
PubChem CID43308101
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine
SMILESCCN1CCCC(C(C)NCCC2=CCCCC2)C1
InChIInChI=1S/C17H32N2/c1-3-19-13-7-10-17(14-19)15(2)18-12-11-16-8-5-4-6-9-16/h8,15,17-18H,3-7,9-14H2,1-2H3
InChIKeyQYBZNCCVFKWWRY-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid
CID 43308794
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
N-(2-cyclohexylethyl)-1-(1-ethylpiperidin-3-yl)ethanamine
CID 54931824
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43308557
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43307907
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072748
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
CID 102696931
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine (CID 43308101) is N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine is CCN1CCCC(C(C)NCCC2=CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine?
The InChIKey is QYBZNCCVFKWWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-19-13-7-10-17(14-19)15(2)18-12-11-16-8-5-4-6-9-16/h8,15,17-18H,3-7,9-14H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine?
N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine has a molecular weight of 264.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 43308101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).