(Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile

C17H27N3 — CID 146285755

IUPAC(Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile
SMILESCN/C(C)=C(\C#N)C1=C(C)CC(C)N(CC2CCC2)C1
InChIInChI=1S/C17H27N3/c1-12-8-13(2)20(10-15-6-5-7-15)11-17(12)16(9-18)14(3)19-4/h13,15,19H,5-8,10-11H2,1-4H3/b16-14+
InChIKeyLJLXEDSDMFHIOH-JQIJEIRASA-N
MW273.42 g/mol
LogP3.21
Rot. Bonds4

About (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile

(Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile (PubChem CID 146285755) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile
PubChem CID146285755
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile
SMILESCN/C(C)=C(\C#N)C1=C(C)CC(C)N(CC2CCC2)C1
InChIInChI=1S/C17H27N3/c1-12-8-13(2)20(10-15-6-5-7-15)11-17(12)16(9-18)14(3)19-4/h13,15,19H,5-8,10-11H2,1-4H3/b16-14+
InChIKeyLJLXEDSDMFHIOH-JQIJEIRASA-N
XLogP3.21
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-[1-[(3-fluoro-2-methylcyclobuten-1-yl)methyl]-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)hept-2-enenitrile
CID 146285710
(Z)-2-[6,6-diethyl-1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-methyl-2,5-dihydropyridin-3-yl]-3-(methylamino)hept-2-enenitrile
CID 167297729
(Z)-2-[1-[(3-fluoro-2-methylcyclobuten-1-yl)methyl]-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)hex-2-enenitrile
CID 153377682
(Z)-2-[1-[(3,3-dimethylcyclobutyl)methyl]-4,6,6-trimethyl-2,5-dihydropyridin-3-yl]-3-(methylamino)hept-2-enenitrile
CID 146285672
(Z)-2-[1-[(3,3-dimethylcyclobutyl)methyl]-4-methyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)hept-2-enenitrile
CID 146285689
(E)-3-amino-2-(5-isocyano-4-methyl-6-propan-2-yl-1,2,3,4-tetrahydropyridin-2-yl)-4-methylpent-2-enenitrile
CID 176779972
6-Butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 12868369
(Z)-2-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-(methylamino)hex-2-enenitrile
CID 153377588
(Z)-2-[1-(cyclohexylmethyl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-(methylamino)but-2-enenitrile
CID 153377664

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile?
The IUPAC name of (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile (CID 146285755) is (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile.
What is the SMILES notation for (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile?
The canonical SMILES for (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile is CN/C(C)=C(\C#N)C1=C(C)CC(C)N(CC2CCC2)C1.
What is the InChIKey of (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile?
The InChIKey is LJLXEDSDMFHIOH-JQIJEIRASA-N. The full InChI is InChI=1S/C17H27N3/c1-12-8-13(2)20(10-15-6-5-7-15)11-17(12)16(9-18)14(3)19-4/h13,15,19H,5-8,10-11H2,1-4H3/b16-14+.
What are the key properties of (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile?
(Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile has a molecular weight of 273.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-(cyclobutylmethyl)-2,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-3-(methylamino)but-2-enenitrile is sourced from PubChem (CID 146285755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).