1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine

C13H22N2 — CID 174304258

IUPAC1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine
SMILESCCC/N=C/C1=C(C)NCC(C(C)C)=C1
InChIInChI=1S/C13H22N2/c1-5-6-14-8-13-7-12(10(2)3)9-15-11(13)4/h7-8,10,15H,5-6,9H2,1-4H3/b14-8+
InChIKeyALVRKJJSPRPWEH-RIYZIHGNSA-N
MW206.33 g/mol
LogP2.93
Rot. Bonds4

About 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine

1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine (PubChem CID 174304258) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine.

Molecular Properties

Compound Name1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine
PubChem CID174304258
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine
SMILESCCC/N=C/C1=C(C)NCC(C(C)C)=C1
InChIInChI=1S/C13H22N2/c1-5-6-14-8-13-7-12(10(2)3)9-15-11(13)4/h7-8,10,15H,5-6,9H2,1-4H3/b14-8+
InChIKeyALVRKJJSPRPWEH-RIYZIHGNSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine 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-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine?
The IUPAC name of 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine (CID 174304258) is 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine.
What is the SMILES notation for 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine?
The canonical SMILES for 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine is CCC/N=C/C1=C(C)NCC(C(C)C)=C1.
What is the InChIKey of 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine?
The InChIKey is ALVRKJJSPRPWEH-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-14-8-13-7-12(10(2)3)9-15-11(13)4/h7-8,10,15H,5-6,9H2,1-4H3/b14-8+.
What are the key properties of 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine?
1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine has a molecular weight of 206.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-propan-2-yl-1,2-dihydropyridin-5-yl)-N-propylmethanimine is sourced from PubChem (CID 174304258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).