N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine

C12H22N2 — CID 130424148

IUPACN,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine
SMILESCCC(C)CN(C)C1=CC=CN(C)C1
InChIInChI=1S/C12H22N2/c1-5-11(2)9-14(4)12-7-6-8-13(3)10-12/h6-8,11H,5,9-10H2,1-4H3
InChIKeyYLVPBNNWUKIJQH-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.31
Rot. Bonds4

About N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine

N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine (PubChem CID 130424148) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine
PubChem CID130424148
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine
SMILESCCC(C)CN(C)C1=CC=CN(C)C1
InChIInChI=1S/C12H22N2/c1-5-11(2)9-14(4)12-7-6-8-13(3)10-12/h6-8,11H,5,9-10H2,1-4H3
InChIKeyYLVPBNNWUKIJQH-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-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,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine?
The IUPAC name of N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine (CID 130424148) is N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine?
The canonical SMILES for N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine is CCC(C)CN(C)C1=CC=CN(C)C1.
What is the InChIKey of N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine?
The InChIKey is YLVPBNNWUKIJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-11(2)9-14(4)12-7-6-8-13(3)10-12/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine?
N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(2-methylbutyl)-2H-pyridin-3-amine is sourced from PubChem (CID 130424148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).