(Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile

C16H25N3 — CID 167297736

IUPAC(Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile
SMILESCN/C=C(\C#N)C1=CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H25N3/c1-18-11-16(10-17)15-8-5-9-19(13-15)12-14-6-3-2-4-7-14/h8,11,14,18H,2-7,9,12-13H2,1H3/b16-11+
InChIKeyXKHCKPPGBLNHJE-LFIBNONCSA-N
MW259.40 g/mol
LogP2.83
Rot. Bonds4

About (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile

(Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile (PubChem CID 167297736) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile
PubChem CID167297736
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile
SMILESCN/C=C(\C#N)C1=CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H25N3/c1-18-11-16(10-17)15-8-5-9-19(13-15)12-14-6-3-2-4-7-14/h8,11,14,18H,2-7,9,12-13H2,1H3/b16-11+
InChIKeyXKHCKPPGBLNHJE-LFIBNONCSA-N
XLogP2.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314902
5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
CID 130194944
7-(cyclohexylmethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;formic acid
CID 155879830
methyl N-[(Z)-1-cyano-1-[1-(cyclohexylmethyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pent-1-en-2-yl]methanimidate
CID 153377648
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne
CID 143571161
(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 142563547
5-(cyclohexylmethyl)-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile;methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163816486
methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163530608
2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
CID 106314830
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile?
The IUPAC name of (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile (CID 167297736) is (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile?
The canonical SMILES for (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile is CN/C=C(\C#N)C1=CCCN(CC2CCCCC2)C1.
What is the InChIKey of (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile?
The InChIKey is XKHCKPPGBLNHJE-LFIBNONCSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-11-16(10-17)15-8-5-9-19(13-15)12-14-6-3-2-4-7-14/h8,11,14,18H,2-7,9,12-13H2,1H3/b16-11+.
What are the key properties of (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile?
(Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile has a molecular weight of 259.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-(cyclohexylmethyl)-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)prop-2-enenitrile is sourced from PubChem (CID 167297736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).