(2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine

C12H21N — CID 1787860

IUPAC2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine
SMILESC1CCC(=CC1)CCNCC2CC2
InChIInChI=1S/C12H21N/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12/h4,12-13H,1-3,5-10H2
InChIKeyDHRJFLBQNLJEIM-UHFFFAOYSA-N
MW179.30 g/mol
LogP2.60
Rot. Bonds5

About (2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine

(2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine (PubChem CID 1787860) has the molecular formula C12H21N and a molecular weight of 179.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name(2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine
PubChem CID1787860
Molecular FormulaC12H21N
Molecular Weight179.30 g/mol
Exact Mass179.17
IUPAC Name2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine
SMILESC1CCC(=CC1)CCNCC2CC2
InChIInChI=1S/C12H21N/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12/h4,12-13H,1-3,5-10H2
InChIKeyDHRJFLBQNLJEIM-UHFFFAOYSA-N
XLogP2.60
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity180

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Cyclohexen-1-YL)-N-(cyclopropylmethyl)-1-ethanamine hydrochloride
CID 11948802
N-[2-(1-cyclohexen-1-yl)ethyl]-1-propanamine hydrochloride
CID 16641248
[2-(1-Cyclohexen-1-yl)ethyl]ethylamine hydrochloride
CID 16956078
[2-(Cyclohex-1-en-1-yl)ethyl](methyl)amine
CID 18360934
2-(cyclohexen-1-yl)-N-(cyclohexylmethyl)ethanamine
CID 1787863
N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 60694945
N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine
CID 62326172
N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62326351
2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine
CID 80695518
N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine
CID 81105233
N-[2-(cyclohexen-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 115513670
N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]cyclopropanamine
CID 116662328

Frequently Asked Questions

What is the IUPAC name of (2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine?
The IUPAC name of (2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine (CID 1787860) is 2-(cyclohexen-1-yl)-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for (2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine?
The canonical SMILES for (2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine is C1CCC(=CC1)CCNCC2CC2.
What is the InChIKey of (2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine?
The InChIKey is DHRJFLBQNLJEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12/h4,12-13H,1-3,5-10H2.
What are the key properties of (2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine?
(2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine has a molecular weight of 179.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine is sourced from PubChem (CID 1787860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).