N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine

C11H22N2 — CID 79508440

IUPACN-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)CC(C)NC1=NCCCC1
InChIInChI=1S/C11H22N2/c1-9(2)8-10(3)13-11-6-4-5-7-12-11/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyJFYFRNQRBWMXAI-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.59
Rot. Bonds3

About N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine

N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508440) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508440
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)CC(C)NC1=NCCCC1
InChIInChI=1S/C11H22N2/c1-9(2)8-10(3)13-11-6-4-5-7-12-11/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyJFYFRNQRBWMXAI-UHFFFAOYSA-N
XLogP2.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine 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 N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79508440) is N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine is CC(C)CC(C)NC1=NCCCC1.
What is the InChIKey of N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is JFYFRNQRBWMXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)8-10(3)13-11-6-4-5-7-12-11/h9-10H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 182.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).