2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine

C12H22N2 — CID 142358650

IUPAC2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine
SMILESCC/C(=N\C1=C(C)CNCC1)C(C)C
InChIInChI=1S/C12H22N2/c1-5-11(9(2)3)14-12-6-7-13-8-10(12)4/h9,13H,5-8H2,1-4H3/b14-11+
InChIKeyYWKTWULEWHLPRP-SDNWHVSQSA-N
MW194.32 g/mol
LogP2.76
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine

2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine (PubChem CID 142358650) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine
PubChem CID142358650
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine
SMILESCC/C(=N\C1=C(C)CNCC1)C(C)C
InChIInChI=1S/C12H22N2/c1-5-11(9(2)3)14-12-6-7-13-8-10(12)4/h9,13H,5-8H2,1-4H3/b14-11+
InChIKeyYWKTWULEWHLPRP-SDNWHVSQSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-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

N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine
CID 126545166
(Z)-2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613742
2,4,6-trimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613743
5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 134172196
ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358571
3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358572
2-Propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine
CID 142358610
N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine
CID 143722639
3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine
CID 145150228
(5-Ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium
CID 149065720
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylpentan-3-imine
CID 142358683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine?
The IUPAC name of 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine (CID 142358650) is 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine is CC/C(=N\C1=C(C)CNCC1)C(C)C.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine?
The InChIKey is YWKTWULEWHLPRP-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-11(9(2)3)14-12-6-7-13-8-10(12)4/h9,13H,5-8H2,1-4H3/b14-11+.
What are the key properties of 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine?
2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine has a molecular weight of 194.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine is sourced from PubChem (CID 142358650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).