1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine

C10H16ClN3 — CID 131049185

IUPAC1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)C(N)c1ccc(Cl)nc1
InChIInChI=1S/C10H16ClN3/c1-6(2)9(12)10(13)7-3-4-8(11)14-5-7/h3-6,9-10H,12-13H2,1-2H3
InChIKeyPGHJWHYTXVZKJN-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.72
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine

1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine (PubChem CID 131049185) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
PubChem CID131049185
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)C(N)c1ccc(Cl)nc1
InChIInChI=1S/C10H16ClN3/c1-6(2)9(12)10(13)7-3-4-8(11)14-5-7/h3-6,9-10H,12-13H2,1-2H3
InChIKeyPGHJWHYTXVZKJN-UHFFFAOYSA-N
XLogP1.72
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
N'-[1-(6-chloro-3-pyridinyl)-2-methylpropyl]ethane-1,2-diamine
CID 21271700
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
CID 130619060
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
1-(6-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55272792
(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
CID 95169683
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290350
(6-chloro-3-pyridinyl)-cyclopropylmethanamine
CID 55295463
(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
CID 130970930

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine (CID 131049185) is 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine is CC(C)C(N)C(N)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine?
The InChIKey is PGHJWHYTXVZKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-6(2)9(12)10(13)7-3-4-8(11)14-5-7/h3-6,9-10H,12-13H2,1-2H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine?
1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine has a molecular weight of 213.71 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 131049185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).