4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine

C10H19N — CID 123463862

IUPAC4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine
SMILESCCC(C)CC1=CCNCC1
InChIInChI=1S/C10H19N/c1-3-9(2)8-10-4-6-11-7-5-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyFKTAQHYAQXUMTL-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds3

About 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine

4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine (PubChem CID 123463862) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine
PubChem CID123463862
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine
SMILESCCC(C)CC1=CCNCC1
InChIInChI=1S/C10H19N/c1-3-9(2)8-10-4-6-11-7-5-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyFKTAQHYAQXUMTL-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine 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

(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
2-(1-Cyclohexen-1-YL)-N-(cyclohexylmethyl)-1-ethanamine hydrochloride
CID 11948824
N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
1,4-Cyclohexanebis(methylamine), N,N'-bis(3,7-dimethyl-2,6-octadienyl)-, dihydrochloride
CID 6437946
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
Hexahydro-cyclopenta(c)pyridine
CID 69895823
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
CID 130625301
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine (CID 123463862) is 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine is CCC(C)CC1=CCNCC1.
What is the InChIKey of 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is FKTAQHYAQXUMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-9(2)8-10-4-6-11-7-5-10/h4,9,11H,3,5-8H2,1-2H3.
What are the key properties of 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine?
4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123463862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).