3-(3-aminobutyl)-5-chloropyridin-2-amine

C9H14ClN3 — CID 64503633

IUPAC3-(3-aminobutyl)-5-chloropyridin-2-amine
SMILESCC(N)CCc1cc(Cl)cnc1N
InChIInChI=1S/C9H14ClN3/c1-6(11)2-3-7-4-8(10)5-13-9(7)12/h4-6H,2-3,11H2,1H3,(H2,12,13)
InChIKeyMIZHQEWEVJSGDS-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.60
Rot. Bonds3

About 3-(3-aminobutyl)-5-chloropyridin-2-amine

3-(3-aminobutyl)-5-chloropyridin-2-amine (PubChem CID 64503633) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 3-(3-aminobutyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-(3-aminobutyl)-5-chloropyridin-2-amine
PubChem CID64503633
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name3-(3-aminobutyl)-5-chloropyridin-2-amine
SMILESCC(N)CCc1cc(Cl)cnc1N
InChIInChI=1S/C9H14ClN3/c1-6(11)2-3-7-4-8(10)5-13-9(7)12/h4-6H,2-3,11H2,1H3,(H2,12,13)
InChIKeyMIZHQEWEVJSGDS-UHFFFAOYSA-N
XLogP1.60
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutyl)-5-chloropyridin-2-amine?
The IUPAC name of 3-(3-aminobutyl)-5-chloropyridin-2-amine (CID 64503633) is 3-(3-aminobutyl)-5-chloropyridin-2-amine.
What is the SMILES notation for 3-(3-aminobutyl)-5-chloropyridin-2-amine?
The canonical SMILES for 3-(3-aminobutyl)-5-chloropyridin-2-amine is CC(N)CCc1cc(Cl)cnc1N.
What is the InChIKey of 3-(3-aminobutyl)-5-chloropyridin-2-amine?
The InChIKey is MIZHQEWEVJSGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-6(11)2-3-7-4-8(10)5-13-9(7)12/h4-6H,2-3,11H2,1H3,(H2,12,13).
What are the key properties of 3-(3-aminobutyl)-5-chloropyridin-2-amine?
3-(3-aminobutyl)-5-chloropyridin-2-amine has a molecular weight of 199.69 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 64503633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).