1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine

C10H15ClN2 — CID 103852479

IUPAC1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ncccc1Cl
InChIInChI=1S/C10H15ClN2/c1-10(2,3)9(12)8-7(11)5-4-6-13-8/h4-6,9H,12H2,1-3H3
InChIKeySUBRJGPVAWUNAB-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.78
Rot. Bonds1

About 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine

1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine (PubChem CID 103852479) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
PubChem CID103852479
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ncccc1Cl
InChIInChI=1S/C10H15ClN2/c1-10(2,3)9(12)8-7(11)5-4-6-13-8/h4-6,9H,12H2,1-3H3
InChIKeySUBRJGPVAWUNAB-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine
CID 131173099
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
1-(3-chloro-2-pyridinyl)prop-2-yn-1-amine
CID 103443721
1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine
CID 103443833
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
CID 138472942
3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine
CID 63198063
(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol
CID 129453199
1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
CID 103443984
[2-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)ethyl]hydrazine
CID 103445951
3-(3-chloro-2-pyridinyl)butan-2-one
CID 63196359
[1-(3-chloro-2-pyridinyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103445658

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine (CID 103852479) is 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine?
The InChIKey is SUBRJGPVAWUNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-10(2,3)9(12)8-7(11)5-4-6-13-8/h4-6,9H,12H2,1-3H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine?
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine has a molecular weight of 198.70 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 103852479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).