1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine

C13H18N2 — CID 106652772

IUPAC1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)C1=CCCCC1
InChIInChI=1S/C13H18N2/c14-13(12-6-2-1-3-7-12)9-11-5-4-8-15-10-11/h4-6,8,10,13H,1-3,7,9,14H2
InChIKeyGYPABCLMJNAYKL-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.45
Rot. Bonds3

About 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine

1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine (PubChem CID 106652772) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine
PubChem CID106652772
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine
SMILESNC(Cc1cccnc1)C1=CCCCC1
InChIInChI=1S/C13H18N2/c14-13(12-6-2-1-3-7-12)9-11-5-4-8-15-10-11/h4-6,8,10,13H,1-3,7,9,14H2
InChIKeyGYPABCLMJNAYKL-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.45
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

1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide
CID 164643241
1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106656300
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-3-ylethanamine
CID 105034568
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
CID 106657277
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
CID 62802997
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one
CID 106656072
cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 106654753
1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine
CID 114602876

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine (CID 106652772) is 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine is NC(Cc1cccnc1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine?
The InChIKey is GYPABCLMJNAYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-13(12-6-2-1-3-7-12)9-11-5-4-8-15-10-11/h4-6,8,10,13H,1-3,7,9,14H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine?
1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 106652772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).