1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine

C12H19ClN2 — CID 103444817

IUPAC1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ncccc1Cl
InChIInChI=1S/C12H19ClN2/c1-3-6-11(14-8-4-2)12-10(13)7-5-9-15-12/h5,7,9,11,14H,3-4,6,8H2,1-2H3
InChIKeyBYGOULVSJORQKN-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.58
Rot. Bonds6

About 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine

1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine (PubChem CID 103444817) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
PubChem CID103444817
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ncccc1Cl
InChIInChI=1S/C12H19ClN2/c1-3-6-11(14-8-4-2)12-10(13)7-5-9-15-12/h5,7,9,11,14H,3-4,6,8H2,1-2H3
InChIKeyBYGOULVSJORQKN-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-pyridinyl)butylhydrazine
CID 103445669
1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 103444761
1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103444845
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
CID 103444831
N-[1-(3-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051471
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 103444803
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893
N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762
N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103444850
1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
CID 82741096

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine (CID 103444817) is 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine is CCCNC(CCC)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine?
The InChIKey is BYGOULVSJORQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-3-6-11(14-8-4-2)12-10(13)7-5-9-15-12/h5,7,9,11,14H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine?
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine has a molecular weight of 226.75 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine is sourced from PubChem (CID 103444817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).