3-(2-chlorobutyl)pyridin-4-amine

C9H13ClN2 — CID 130480258

IUPAC3-(2-chlorobutyl)pyridin-4-amine
SMILESCCC(Cl)Cc1cnccc1N
InChIInChI=1S/C9H13ClN2/c1-2-8(10)5-7-6-12-4-3-9(7)11/h3-4,6,8H,2,5H2,1H3,(H2,11,12)
InChIKeyAFDPABFDJJVLJW-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.22
Rot. Bonds3

About 3-(2-chlorobutyl)pyridin-4-amine

3-(2-chlorobutyl)pyridin-4-amine (PubChem CID 130480258) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-(2-chlorobutyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(2-chlorobutyl)pyridin-4-amine
PubChem CID130480258
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name3-(2-chlorobutyl)pyridin-4-amine
SMILESCCC(Cl)Cc1cnccc1N
InChIInChI=1S/C9H13ClN2/c1-2-8(10)5-7-6-12-4-3-9(7)11/h3-4,6,8H,2,5H2,1H3,(H2,11,12)
InChIKeyAFDPABFDJJVLJW-UHFFFAOYSA-N
XLogP2.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.22
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-(4-chloro-2-methylpentyl)pyridin-4-amine
CID 64721238
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
3-[3-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 64663911
3-(bromomethyl)pyridin-4-amine
CID 18674607
3-(2-hydrazinyl-3-methoxypentyl)pyridin-4-amine
CID 105270886
3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine
CID 65129254
1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79053969
3-(3-chloro-3-phenylpropyl)pyridin-4-amine
CID 64507336
6-(4-amino-3-pyridinyl)-2-methylhexan-3-ol
CID 64515366
1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79063484
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorobutyl)pyridin-4-amine?
The IUPAC name of 3-(2-chlorobutyl)pyridin-4-amine (CID 130480258) is 3-(2-chlorobutyl)pyridin-4-amine.
What is the SMILES notation for 3-(2-chlorobutyl)pyridin-4-amine?
The canonical SMILES for 3-(2-chlorobutyl)pyridin-4-amine is CCC(Cl)Cc1cnccc1N.
What is the InChIKey of 3-(2-chlorobutyl)pyridin-4-amine?
The InChIKey is AFDPABFDJJVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-2-8(10)5-7-6-12-4-3-9(7)11/h3-4,6,8H,2,5H2,1H3,(H2,11,12).
What are the key properties of 3-(2-chlorobutyl)pyridin-4-amine?
3-(2-chlorobutyl)pyridin-4-amine has a molecular weight of 184.67 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorobutyl)pyridin-4-amine is sourced from PubChem (CID 130480258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).