N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine

C12H18N2 — CID 130532978

IUPACN-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine
SMILESCc1ccc(NC2CCC2(C)C)cn1
InChIInChI=1S/C12H18N2/c1-9-4-5-10(8-13-9)14-11-6-7-12(11,2)3/h4-5,8,11,14H,6-7H2,1-3H3
InChIKeyBWBFRBDHVZBHTC-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.99
Rot. Bonds2

About N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine

N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine (PubChem CID 130532978) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine
PubChem CID130532978
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine
SMILESCc1ccc(NC2CCC2(C)C)cn1
InChIInChI=1S/C12H18N2/c1-9-4-5-10(8-13-9)14-11-6-7-12(11,2)3/h4-5,8,11,14H,6-7H2,1-3H3
InChIKeyBWBFRBDHVZBHTC-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylcyclobutyl)-6-methylpyridin-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-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine?
The IUPAC name of N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine (CID 130532978) is N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine.
What is the SMILES notation for N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine?
The canonical SMILES for N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine is Cc1ccc(NC2CCC2(C)C)cn1.
What is the InChIKey of N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine?
The InChIKey is BWBFRBDHVZBHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-4-5-10(8-13-9)14-11-6-7-12(11,2)3/h4-5,8,11,14H,6-7H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine?
N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclobutyl)-6-methylpyridin-3-amine is sourced from PubChem (CID 130532978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).