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

C11H17ClN2 — CID 103756761

IUPAC2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
SMILESCN(CC(C)(C)C)c1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2/c1-11(2,3)8-14(4)9-5-6-13-10(12)7-9/h5-7H,8H2,1-4H3
InChIKeyHTHHHZUPXVFRPI-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.22
Rot. Bonds2

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

2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine (PubChem CID 103756761) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
PubChem CID103756761
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
SMILESCN(CC(C)(C)C)c1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2/c1-11(2,3)8-14(4)9-5-6-13-10(12)7-9/h5-7H,8H2,1-4H3
InChIKeyHTHHHZUPXVFRPI-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
CID 103756833
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
N-tert-butyl-2-chloro-N-ethylpyridin-4-amine
CID 130921684
N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 62289015
2-chloro-N-(cyclobutylmethyl)-N-methylpyridin-4-amine
CID 103756840
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
CID 103756524
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine
CID 62342868
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
2-[[(2-chloro-4-pyridinyl)-methylamino]methyl]butanoic acid
CID 177061326
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine (CID 103756761) is 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine is CN(CC(C)(C)C)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine?
The InChIKey is HTHHHZUPXVFRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-11(2,3)8-14(4)9-5-6-13-10(12)7-9/h5-7H,8H2,1-4H3.
What are the key properties of 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine?
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 103756761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).