1-chloro-N-phosphanylbutan-1-amine

C4H11ClNP — CID 88930419

IUPAC1-chloro-N-phosphanylbutan-1-amine
SMILESCCCC(Cl)NP
InChIInChI=1S/C4H11ClNP/c1-2-3-4(5)6-7/h4,6H,2-3,7H2,1H3
InChIKeyJCADUHWVVORTST-UHFFFAOYSA-N
MW139.57 g/mol
LogP1.73
Rot. Bonds3

About 1-chloro-N-phosphanylbutan-1-amine

1-chloro-N-phosphanylbutan-1-amine (PubChem CID 88930419) has the molecular formula C4H11ClNP and a molecular weight of 139.57 g/mol. Its IUPAC name is 1-chloro-N-phosphanylbutan-1-amine.

Molecular Properties

Compound Name1-chloro-N-phosphanylbutan-1-amine
PubChem CID88930419
Molecular FormulaC4H11ClNP
Molecular Weight139.57 g/mol
Exact Mass139.03
IUPAC Name1-chloro-N-phosphanylbutan-1-amine
SMILESCCCC(Cl)NP
InChIInChI=1S/C4H11ClNP/c1-2-3-4(5)6-7/h4,6H,2-3,7H2,1H3
InChIKeyJCADUHWVVORTST-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.57
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-chloro-N-phosphanylbutan-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-chloro-N-methylbutan-1-amine
CID 22396140
ethyl 2-(phosphanylamino)pentanoate
CID 59113606
(2R)-N-chloropentan-2-amine
CID 88575991
CID 150721526
CID 150721526
dichloro(1-chlorobutyl)silane
CID 130655013
N-pentan-3-ylhexan-3-amine
CID 62118915
chloro(1-chlorobutyl)silane
CID 175339235
1,1,2,2-tetrachlorohexan-3-ol
CID 71360035
pentan-2-ylphosphane
CID 22981481
4-chloro-3-methylheptane
CID 54215050
1,2,5-trichlorooctane
CID 20749063
1-chloro-N,N'-dimethylpropane-1,3-diamine
CID 54309044

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-phosphanylbutan-1-amine?
The IUPAC name of 1-chloro-N-phosphanylbutan-1-amine (CID 88930419) is 1-chloro-N-phosphanylbutan-1-amine.
What is the SMILES notation for 1-chloro-N-phosphanylbutan-1-amine?
The canonical SMILES for 1-chloro-N-phosphanylbutan-1-amine is CCCC(Cl)NP.
What is the InChIKey of 1-chloro-N-phosphanylbutan-1-amine?
The InChIKey is JCADUHWVVORTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClNP/c1-2-3-4(5)6-7/h4,6H,2-3,7H2,1H3.
What are the key properties of 1-chloro-N-phosphanylbutan-1-amine?
1-chloro-N-phosphanylbutan-1-amine has a molecular weight of 139.57 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-phosphanylbutan-1-amine is sourced from PubChem (CID 88930419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).