4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile

C15H19N3 — CID 63882721

IUPAC4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNCCC2=CCCCC2)ccn1
InChIInChI=1S/C15H19N3/c16-11-15-10-14(7-9-18-15)12-17-8-6-13-4-2-1-3-5-13/h4,7,9-10,17H,1-3,5-6,8,12H2
InChIKeyMIUZYJVXYWPDMV-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.93
Rot. Bonds5

About 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile

4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile (PubChem CID 63882721) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
PubChem CID63882721
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNCCC2=CCCCC2)ccn1
InChIInChI=1S/C15H19N3/c16-11-15-10-14(7-9-18-15)12-17-8-6-13-4-2-1-3-5-13/h4,7,9-10,17H,1-3,5-6,8,12H2
InChIKeyMIUZYJVXYWPDMV-UHFFFAOYSA-N
XLogP2.93
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 28620853
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 55128646
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
2-[4-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 106169750
5-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-methoxybenzonitrile
CID 103845317
2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17210383
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride
CID 17210382
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
2-(cyclopenten-1-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 106169984

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile (CID 63882721) is 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile is N#Cc1cc(CNCCC2=CCCCC2)ccn1.
What is the InChIKey of 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is MIUZYJVXYWPDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-11-15-10-14(7-9-18-15)12-17-8-6-13-4-2-1-3-5-13/h4,7,9-10,17H,1-3,5-6,8,12H2.
What are the key properties of 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).