3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile

C15H19N3 — CID 55128646

IUPAC3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCC1=CCCCC1
InChIInChI=1S/C15H19N3/c16-11-15-14(7-4-9-18-15)12-17-10-8-13-5-2-1-3-6-13/h4-5,7,9,17H,1-3,6,8,10,12H2
InChIKeyCMMQNSICFOCIMW-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.93
Rot. Bonds5

About 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile

3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile (PubChem CID 55128646) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
PubChem CID55128646
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCC1=CCCCC1
InChIInChI=1S/C15H19N3/c16-11-15-14(7-4-9-18-15)12-17-10-8-13-5-2-1-3-6-13/h4-5,7,9,17H,1-3,6,8,10,12H2
InChIKeyCMMQNSICFOCIMW-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

2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
CID 55127965
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 63882721
3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895527
3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 55110800
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 28620853
3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile
CID 62893680
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
2-(cyclopenten-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114153186
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895253
3-[(4,4,4-trifluorobutylamino)methyl]pyridine-2-carbonitrile
CID 113327330

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile (CID 55128646) is 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNCCC1=CCCCC1.
What is the InChIKey of 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is CMMQNSICFOCIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-11-15-14(7-4-9-18-15)12-17-10-8-13-5-2-1-3-6-13/h4-5,7,9,17H,1-3,6,8,10,12H2.
What are the key properties of 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
3-[[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 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 55128646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).