1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile

C9H15N3 — CID 12765375

IUPAC1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile
SMILESCC1=CN(N(C)C)C(C#N)CC1
InChIInChI=1S/C9H15N3/c1-8-4-5-9(6-10)12(7-8)11(2)3/h7,9H,4-5H2,1-3H3
InChIKeyGJLVLDRZXSJQQO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.35
Rot. Bonds1

About 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile

1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile (PubChem CID 12765375) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile
PubChem CID12765375
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile
SMILESCC1=CN(N(C)C)C(C#N)CC1
InChIInChI=1S/C9H15N3/c1-8-4-5-9(6-10)12(7-8)11(2)3/h7,9H,4-5H2,1-3H3
InChIKeyGJLVLDRZXSJQQO-UHFFFAOYSA-N
XLogP1.35
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile?
The IUPAC name of 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile (CID 12765375) is 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile.
What is the SMILES notation for 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile?
The canonical SMILES for 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile is CC1=CN(N(C)C)C(C#N)CC1.
What is the InChIKey of 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile?
The InChIKey is GJLVLDRZXSJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-4-5-9(6-10)12(7-8)11(2)3/h7,9H,4-5H2,1-3H3.
What are the key properties of 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile?
1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-5-methyl-3,4-dihydro-2H-pyridine-2-carbonitrile is sourced from PubChem (CID 12765375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).