1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine

C10H15ClN2 — CID 130041973

IUPAC1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(Cl)nc1
InChIInChI=1S/C10H15ClN2/c1-10(2,3)9(12)7-4-5-8(11)13-6-7/h4-6,9H,12H2,1-3H3
InChIKeyOBGBGLPYKDPGHD-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.78
Rot. Bonds1

About 1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine

1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine (PubChem CID 130041973) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
PubChem CID130041973
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(Cl)nc1
InChIInChI=1S/C10H15ClN2/c1-10(2,3)9(12)7-4-5-8(11)13-6-7/h4-6,9H,12H2,1-3H3
InChIKeyOBGBGLPYKDPGHD-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

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290350
(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130740917
methyl (3R)-3-amino-3-(6-chloro-3-pyridinyl)-2,2-dimethylpropanoate
CID 171240829
1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
CID 131049185
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
1-(6-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55272792
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
(6-chloro-3-pyridinyl)-cyclopropylmethanamine
CID 55295463
2-chloro-5-pentan-3-ylpyridine
CID 134459618
2-(6-chloro-3-pyridinyl)propan-2-amine
CID 57370214

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine (CID 130041973) is 1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine?
The InChIKey is OBGBGLPYKDPGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-10(2,3)9(12)7-4-5-8(11)13-6-7/h4-6,9H,12H2,1-3H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine?
1-(6-chloro-3-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-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130041973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).