aminomethyl(butylaminomethyl)phosphinic acid

C6H17N2O2P — CID 118735645

IUPACaminomethyl(butylaminomethyl)phosphinic acid
SMILESCCCCNCP(=O)(O)CN
InChIInChI=1S/C6H17N2O2P/c1-2-3-4-8-6-11(9,10)5-7/h8H,2-7H2,1H3,(H,9,10)
InChIKeyOSSGJPWWGLLNMG-UHFFFAOYSA-N
MW180.19 g/mol
LogP0.52
Rot. Bonds6

About aminomethyl(butylaminomethyl)phosphinic acid

aminomethyl(butylaminomethyl)phosphinic acid (PubChem CID 118735645) has the molecular formula C6H17N2O2P and a molecular weight of 180.19 g/mol. Its IUPAC name is aminomethyl(butylaminomethyl)phosphinic acid.

Molecular Properties

Compound Nameaminomethyl(butylaminomethyl)phosphinic acid
PubChem CID118735645
Molecular FormulaC6H17N2O2P
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Nameaminomethyl(butylaminomethyl)phosphinic acid
SMILESCCCCNCP(=O)(O)CN
InChIInChI=1S/C6H17N2O2P/c1-2-3-4-8-6-11(9,10)5-7/h8H,2-7H2,1H3,(H,9,10)
InChIKeyOSSGJPWWGLLNMG-UHFFFAOYSA-N
XLogP0.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aminomethyl(butylaminomethyl)phosphinic acid?
The IUPAC name of aminomethyl(butylaminomethyl)phosphinic acid (CID 118735645) is aminomethyl(butylaminomethyl)phosphinic acid.
What is the SMILES notation for aminomethyl(butylaminomethyl)phosphinic acid?
The canonical SMILES for aminomethyl(butylaminomethyl)phosphinic acid is CCCCNCP(=O)(O)CN.
What is the InChIKey of aminomethyl(butylaminomethyl)phosphinic acid?
The InChIKey is OSSGJPWWGLLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O2P/c1-2-3-4-8-6-11(9,10)5-7/h8H,2-7H2,1H3,(H,9,10).
What are the key properties of aminomethyl(butylaminomethyl)phosphinic acid?
aminomethyl(butylaminomethyl)phosphinic acid has a molecular weight of 180.19 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl(butylaminomethyl)phosphinic acid is sourced from PubChem (CID 118735645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).