(6-amino-2-chlorohexan-3-yl)phosphonic acid

C6H15ClNO3P — CID 87150922

IUPAC(6-amino-2-chlorohexan-3-yl)phosphonic acid
SMILESCC(Cl)C(CCCN)P(=O)(O)O
InChIInChI=1S/C6H15ClNO3P/c1-5(7)6(3-2-4-8)12(9,10)11/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeyULRNAALUIJJXOC-UHFFFAOYSA-N
MW215.62 g/mol
LogP0.90
Rot. Bonds5

About (6-amino-2-chlorohexan-3-yl)phosphonic acid

(6-amino-2-chlorohexan-3-yl)phosphonic acid (PubChem CID 87150922) has the molecular formula C6H15ClNO3P and a molecular weight of 215.62 g/mol. Its IUPAC name is (6-amino-2-chlorohexan-3-yl)phosphonic acid.

Molecular Properties

Compound Name(6-amino-2-chlorohexan-3-yl)phosphonic acid
PubChem CID87150922
Molecular FormulaC6H15ClNO3P
Molecular Weight215.62 g/mol
Exact Mass215.05
IUPAC Name(6-amino-2-chlorohexan-3-yl)phosphonic acid
SMILESCC(Cl)C(CCCN)P(=O)(O)O
InChIInChI=1S/C6H15ClNO3P/c1-5(7)6(3-2-4-8)12(9,10)11/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeyULRNAALUIJJXOC-UHFFFAOYSA-N
XLogP0.90
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-amino-2-chlorohexan-3-yl)phosphonic acid 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

(5-amino-1-hydroxy-2-methyl-1-phosphonopentyl)phosphonic acid
CID 87843654
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
(4-amino-1-cyclohexylbutyl)phosphonic acid
CID 150102027
1,1-diphosphonohexan-2-ylphosphonic acid
CID 173086475
pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
4-phosphonobutylphosphonic acid;propane-1,3-diamine
CID 18949670
3-(10-aminodecyl)pentane-2,4-dione
CID 71337648
7-amino-2,4-dimethylheptan-3-one
CID 116613359
6-amino-3-(2-aminoethyl)hexan-2-one
CID 22709233
(2R)-5-amino-2-[bis(phosphonomethyl)amino]pentanoic acid
CID 87461792
(2S)-5-amino-2-[bis(phosphonomethyl)amino]pentanoic acid
CID 87461790
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-chlorohexan-3-yl)phosphonic acid?
The IUPAC name of (6-amino-2-chlorohexan-3-yl)phosphonic acid (CID 87150922) is (6-amino-2-chlorohexan-3-yl)phosphonic acid.
What is the SMILES notation for (6-amino-2-chlorohexan-3-yl)phosphonic acid?
The canonical SMILES for (6-amino-2-chlorohexan-3-yl)phosphonic acid is CC(Cl)C(CCCN)P(=O)(O)O.
What is the InChIKey of (6-amino-2-chlorohexan-3-yl)phosphonic acid?
The InChIKey is ULRNAALUIJJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClNO3P/c1-5(7)6(3-2-4-8)12(9,10)11/h5-6H,2-4,8H2,1H3,(H2,9,10,11).
What are the key properties of (6-amino-2-chlorohexan-3-yl)phosphonic acid?
(6-amino-2-chlorohexan-3-yl)phosphonic acid has a molecular weight of 215.62 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-chlorohexan-3-yl)phosphonic acid is sourced from PubChem (CID 87150922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).