aminomethyl(propylaminomethyl)phosphinic acid

C5H15N2O2P — CID 118735644

IUPACaminomethyl(propylaminomethyl)phosphinic acid
SMILESCCCNCP(=O)(O)CN
InChIInChI=1S/C5H15N2O2P/c1-2-3-7-5-10(8,9)4-6/h7H,2-6H2,1H3,(H,8,9)
InChIKeyBFOLTCOQDQOJOY-UHFFFAOYSA-N
MW166.16 g/mol
LogP0.13
Rot. Bonds5

About aminomethyl(propylaminomethyl)phosphinic acid

aminomethyl(propylaminomethyl)phosphinic acid (PubChem CID 118735644) has the molecular formula C5H15N2O2P and a molecular weight of 166.16 g/mol. Its IUPAC name is aminomethyl(propylaminomethyl)phosphinic acid.

Molecular Properties

Compound Nameaminomethyl(propylaminomethyl)phosphinic acid
PubChem CID118735644
Molecular FormulaC5H15N2O2P
Molecular Weight166.16 g/mol
Exact Mass166.09
IUPAC Nameaminomethyl(propylaminomethyl)phosphinic acid
SMILESCCCNCP(=O)(O)CN
InChIInChI=1S/C5H15N2O2P/c1-2-3-7-5-10(8,9)4-6/h7H,2-6H2,1H3,(H,8,9)
InChIKeyBFOLTCOQDQOJOY-UHFFFAOYSA-N
XLogP0.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.13
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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Related Compounds

aminomethyl(ethylaminomethyl)phosphinic acid
CID 139414090
azanide;bis(aminomethyl)phosphinic acid;zinc
CID 6394823
formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 174938120
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
2-(propylamino)acetamide
CID 15839438
bis(propylamino)phosphinic acid
CID 59603177
azane;N'-propylethane-1,2-diamine
CID 87476258
tris(N-butylbutan-1-amine);methanol;phosphoric acid;trihydrate
CID 173413745
aminomethyl(methyl)phosphinic acid;butan-1-amine
CID 139413899
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
aminomethylphosphonic acid;methanesulfonic acid
CID 173452453

Frequently Asked Questions

What is the IUPAC name of aminomethyl(propylaminomethyl)phosphinic acid?
The IUPAC name of aminomethyl(propylaminomethyl)phosphinic acid (CID 118735644) is aminomethyl(propylaminomethyl)phosphinic acid.
What is the SMILES notation for aminomethyl(propylaminomethyl)phosphinic acid?
The canonical SMILES for aminomethyl(propylaminomethyl)phosphinic acid is CCCNCP(=O)(O)CN.
What is the InChIKey of aminomethyl(propylaminomethyl)phosphinic acid?
The InChIKey is BFOLTCOQDQOJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2O2P/c1-2-3-7-5-10(8,9)4-6/h7H,2-6H2,1H3,(H,8,9).
What are the key properties of aminomethyl(propylaminomethyl)phosphinic acid?
aminomethyl(propylaminomethyl)phosphinic acid has a molecular weight of 166.16 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl(propylaminomethyl)phosphinic acid is sourced from PubChem (CID 118735644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).