4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine

C12H20N2 — CID 123823045

IUPAC4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine
SMILES[H]/N=C1\C=NCCC1=C(C)C(C)CCC
InChIInChI=1S/C12H20N2/c1-4-5-9(2)10(3)11-6-7-14-8-12(11)13/h8-9,13H,4-7H2,1-3H3/b11-10?,13-12+
InChIKeyMKHZYNZKCPMCPC-VYPADJPSSA-N
MW192.31 g/mol
LogP3.23
Rot. Bonds3

About 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine

4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine (PubChem CID 123823045) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine.

Molecular Properties

Compound Name4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine
PubChem CID123823045
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine
SMILES[H]/N=C1\C=NCCC1=C(C)C(C)CCC
InChIInChI=1S/C12H20N2/c1-4-5-9(2)10(3)11-6-7-14-8-12(11)13/h8-9,13H,4-7H2,1-3H3/b11-10?,13-12+
InChIKeyMKHZYNZKCPMCPC-VYPADJPSSA-N
XLogP3.23
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine 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

4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
4-Methyl-2-(methyliminomethyl)cyclohexen-1-amine
CID 89041577
3-Ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine
CID 123161081
5-Methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine
CID 123369350
1-(3-Ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine
CID 123420524
6-Ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
CID 123490439
3-Ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine
CID 123632856
(3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine
CID 146367196
(3-Propyl-2,3-dihydropyridin-4-yl)methanamine
CID 146670699
2-ethyl-3,5-dimethyl-4a,5-dihydro-4H-pyrido[3,2-c]azepin-9-amine
CID 163602108
3-Ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine
CID 163883744
(E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine
CID 166963574

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine?
The IUPAC name of 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine (CID 123823045) is 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine.
What is the SMILES notation for 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine?
The canonical SMILES for 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine is [H]/N=C1\C=NCCC1=C(C)C(C)CCC.
What is the InChIKey of 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine?
The InChIKey is MKHZYNZKCPMCPC-VYPADJPSSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-5-9(2)10(3)11-6-7-14-8-12(11)13/h8-9,13H,4-7H2,1-3H3/b11-10?,13-12+.
What are the key properties of 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine?
4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine has a molecular weight of 192.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine is sourced from PubChem (CID 123823045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).