[2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride

C5H15ClN2OP+ — CID 173210992

IUPAC[2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride
SMILESCNC(C)C(N)C[PH+]=O.Cl
InChIInChI=1S/C5H13N2OP.ClH/c1-4(7-2)5(6)3-9-8;/h4-5,7H,3,6H2,1-2H3;1H/p+1
InChIKeyWYXJWBQMERIOMV-UHFFFAOYSA-O
MW185.61 g/mol
LogP0.37
Rot. Bonds4

About [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride

[2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride (PubChem CID 173210992) has the molecular formula C5H15ClN2OP+ and a molecular weight of 185.61 g/mol. Its IUPAC name is [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride.

Molecular Properties

Compound Name[2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride
PubChem CID173210992
Molecular FormulaC5H15ClN2OP+
Molecular Weight185.61 g/mol
Exact Mass185.06
IUPAC Name[2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride
SMILESCNC(C)C(N)C[PH+]=O.Cl
InChIInChI=1S/C5H13N2OP.ClH/c1-4(7-2)5(6)3-9-8;/h4-5,7H,3,6H2,1-2H3;1H/p+1
InChIKeyWYXJWBQMERIOMV-UHFFFAOYSA-O
XLogP0.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride?
The IUPAC name of [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride (CID 173210992) is [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride.
What is the SMILES notation for [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride?
The canonical SMILES for [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride is CNC(C)C(N)C[PH+]=O.Cl.
What is the InChIKey of [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride?
The InChIKey is WYXJWBQMERIOMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N2OP.ClH/c1-4(7-2)5(6)3-9-8;/h4-5,7H,3,6H2,1-2H3;1H/p+1.
What are the key properties of [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride?
[2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride has a molecular weight of 185.61 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride is sourced from PubChem (CID 173210992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).