2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine

C11H17ClN2 — CID 65483153

IUPAC2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NCC(C)(C)C
InChIInChI=1S/C11H17ClN2/c1-8-5-6-13-10(12)9(8)14-7-11(2,3)4/h5-6,14H,7H2,1-4H3
InChIKeyGMFHSKJHSYAGFA-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.50
Rot. Bonds2

About 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine

2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine (PubChem CID 65483153) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
PubChem CID65483153
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NCC(C)(C)C
InChIInChI=1S/C11H17ClN2/c1-8-5-6-13-10(12)9(8)14-7-11(2,3)4/h5-6,14H,7H2,1-4H3
InChIKeyGMFHSKJHSYAGFA-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2,2-dimethylpropyl)-4-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

Related Compounds

N-butyl-2-chloro-4-methylpyridin-3-amine
CID 65483347
N-[(4-tert-butylphenyl)methyl]-2-chloro-4-methylpyridin-3-amine
CID 65484317
2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine
CID 65483551
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
CID 65489501
2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 81311469
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
CID 65485112
2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
CID 103088102
2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
CID 65484321
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
CID 65485111
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708209
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyridin-3-amine
CID 65483729

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine (CID 65483153) is 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NCC(C)(C)C.
What is the InChIKey of 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine?
The InChIKey is GMFHSKJHSYAGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-8-5-6-13-10(12)9(8)14-7-11(2,3)4/h5-6,14H,7H2,1-4H3.
What are the key properties of 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine?
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine has a molecular weight of 212.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine is sourced from PubChem (CID 65483153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).