3-(1-chloro-2-methylpropyl)pyridin-4-amine

C9H13ClN2 — CID 130480173

IUPAC3-(1-chloro-2-methylpropyl)pyridin-4-amine
SMILESCC(C)C(Cl)c1cnccc1N
InChIInChI=1S/C9H13ClN2/c1-6(2)9(10)7-5-12-4-3-8(7)11/h3-6,9H,1-2H3,(H2,11,12)
InChIKeyVPKIMKYAQDVBBR-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.60
Rot. Bonds2

About 3-(1-chloro-2-methylpropyl)pyridin-4-amine

3-(1-chloro-2-methylpropyl)pyridin-4-amine (PubChem CID 130480173) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-(1-chloro-2-methylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(1-chloro-2-methylpropyl)pyridin-4-amine
PubChem CID130480173
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name3-(1-chloro-2-methylpropyl)pyridin-4-amine
SMILESCC(C)C(Cl)c1cnccc1N
InChIInChI=1S/C9H13ClN2/c1-6(2)9(10)7-5-12-4-3-8(7)11/h3-6,9H,1-2H3,(H2,11,12)
InChIKeyVPKIMKYAQDVBBR-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine
CID 116720111
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 107443196
1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol
CID 103449093
3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine
CID 116724573
3-(2-chlorobutyl)pyridin-4-amine
CID 130480258
3-(4-chloro-2-methylpentyl)pyridin-4-amine
CID 64721238
1-(4-amino-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053794
(1S)-1-(4-chloro-3-pyridinyl)ethanamine
CID 96955517
3-(1-amino-2-methoxypentyl)pyridin-4-amine
CID 116718666
3-[(4-ethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105197356
3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine
CID 113391490

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-2-methylpropyl)pyridin-4-amine?
The IUPAC name of 3-(1-chloro-2-methylpropyl)pyridin-4-amine (CID 130480173) is 3-(1-chloro-2-methylpropyl)pyridin-4-amine.
What is the SMILES notation for 3-(1-chloro-2-methylpropyl)pyridin-4-amine?
The canonical SMILES for 3-(1-chloro-2-methylpropyl)pyridin-4-amine is CC(C)C(Cl)c1cnccc1N.
What is the InChIKey of 3-(1-chloro-2-methylpropyl)pyridin-4-amine?
The InChIKey is VPKIMKYAQDVBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(2)9(10)7-5-12-4-3-8(7)11/h3-6,9H,1-2H3,(H2,11,12).
What are the key properties of 3-(1-chloro-2-methylpropyl)pyridin-4-amine?
3-(1-chloro-2-methylpropyl)pyridin-4-amine has a molecular weight of 184.67 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-2-methylpropyl)pyridin-4-amine is sourced from PubChem (CID 130480173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).