3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine

C12H19N — CID 123785069

IUPAC3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine
SMILESCC1=CC(CC2CC2)C(C)N=C1C
InChIInChI=1S/C12H19N/c1-8-6-12(7-11-4-5-11)10(3)13-9(8)2/h6,10-12H,4-5,7H2,1-3H3
InChIKeyQDXZDHHNSGYQSV-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.21
Rot. Bonds2

About 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine

3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine (PubChem CID 123785069) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine
PubChem CID123785069
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine
SMILESCC1=CC(CC2CC2)C(C)N=C1C
InChIInChI=1S/C12H19N/c1-8-6-12(7-11-4-5-11)10(3)13-9(8)2/h6,10-12H,4-5,7H2,1-3H3
InChIKeyQDXZDHHNSGYQSV-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine 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

(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
CID 118018671
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660
(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
CID 67595251
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
4-(2,4-dimethylpentyl)-6-ethyl-7-methyl-3,4-dihydro-2H-azepine
CID 70894676
(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 70966118
7-Methyl-2,3,4,6,7,8-hexahydroquinoline
CID 85778147

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine?
The IUPAC name of 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine (CID 123785069) is 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine.
What is the SMILES notation for 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine?
The canonical SMILES for 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine is CC1=CC(CC2CC2)C(C)N=C1C.
What is the InChIKey of 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine?
The InChIKey is QDXZDHHNSGYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-8-6-12(7-11-4-5-11)10(3)13-9(8)2/h6,10-12H,4-5,7H2,1-3H3.
What are the key properties of 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine?
3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine has a molecular weight of 177.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2,5,6-trimethyl-2,3-dihydropyridine is sourced from PubChem (CID 123785069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).