2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

C15H22N2 — CID 104747092

IUPAC2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCC2=CCCCC2)cn1
InChIInChI=1S/C15H22N2/c1-13-7-8-15(12-17-13)11-16-10-9-14-5-3-2-4-6-14/h5,7-8,12,16H,2-4,6,9-11H2,1H3
InChIKeyOJZUQNQHSABSAG-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.37
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 104747092) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID104747092
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNCCC2=CCCCC2)cn1
InChIInChI=1S/C15H22N2/c1-13-7-8-15(12-17-13)11-16-10-9-14-5-3-2-4-6-14/h5,7-8,12,16H,2-4,6,9-11H2,1H3
InChIKeyOJZUQNQHSABSAG-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine
CID 102536285
2-(cyclohexen-1-yl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 102536081
2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62404588
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
CID 17210231
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 28620853
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206598
2-(cyclopenten-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115762905

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (CID 104747092) is 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is Cc1ccc(CNCCC2=CCCCC2)cn1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is OJZUQNQHSABSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13-7-8-15(12-17-13)11-16-10-9-14-5-3-2-4-6-14/h5,7-8,12,16H,2-4,6,9-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104747092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).