aminomethyl(methyl)phosphinic acid;butan-1-amine

C6H19N2O2P — CID 139413899

IUPACaminomethyl(methyl)phosphinic acid;butan-1-amine
SMILESCCCCN.CP(=O)(O)CN
InChIInChI=1S/C4H11N.C2H8NO2P/c1-2-3-4-5;1-6(4,5)2-3/h2-5H2,1H3;2-3H2,1H3,(H,4,5)
InChIKeyLQMPIKZYTKXHLU-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.55
Rot. Bonds3

About aminomethyl(methyl)phosphinic acid;butan-1-amine

aminomethyl(methyl)phosphinic acid;butan-1-amine (PubChem CID 139413899) has the molecular formula C6H19N2O2P and a molecular weight of 182.20 g/mol. Its IUPAC name is aminomethyl(methyl)phosphinic acid;butan-1-amine.

Molecular Properties

Compound Nameaminomethyl(methyl)phosphinic acid;butan-1-amine
PubChem CID139413899
Molecular FormulaC6H19N2O2P
Molecular Weight182.20 g/mol
Exact Mass182.12
IUPAC Nameaminomethyl(methyl)phosphinic acid;butan-1-amine
SMILESCCCCN.CP(=O)(O)CN
InChIInChI=1S/C4H11N.C2H8NO2P/c1-2-3-4-5;1-6(4,5)2-3/h2-5H2,1H3;2-3H2,1H3,(H,4,5)
InChIKeyLQMPIKZYTKXHLU-UHFFFAOYSA-N
XLogP0.55
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(butan-1-amine);hydroxy dihydrogen phosphate
CID 174682750
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
tris(hexadecan-1-amine);phosphoric acid
CID 173300602
hexan-1-amine;phosphoric acid
CID 173003303
butan-1-amine;hydroxy(oxo)phosphanium
CID 173106427
fluorophosphonic acid;pentan-1-amine
CID 174849485
hexan-1-amine;methyl(methylaminomethyl)phosphinic acid
CID 139413958
3-aminopropyl(methyl)phosphinic acid chloride
CID 53346869
CID 159237160
CID 159237160
butyl(methyl)phosphinic acid
CID 10909622
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
ethane-1,2-diamine;methylphosphonic acid
CID 19349473

Frequently Asked Questions

What is the IUPAC name of aminomethyl(methyl)phosphinic acid;butan-1-amine?
The IUPAC name of aminomethyl(methyl)phosphinic acid;butan-1-amine (CID 139413899) is aminomethyl(methyl)phosphinic acid;butan-1-amine.
What is the SMILES notation for aminomethyl(methyl)phosphinic acid;butan-1-amine?
The canonical SMILES for aminomethyl(methyl)phosphinic acid;butan-1-amine is CCCCN.CP(=O)(O)CN.
What is the InChIKey of aminomethyl(methyl)phosphinic acid;butan-1-amine?
The InChIKey is LQMPIKZYTKXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H8NO2P/c1-2-3-4-5;1-6(4,5)2-3/h2-5H2,1H3;2-3H2,1H3,(H,4,5).
What are the key properties of aminomethyl(methyl)phosphinic acid;butan-1-amine?
aminomethyl(methyl)phosphinic acid;butan-1-amine has a molecular weight of 182.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl(methyl)phosphinic acid;butan-1-amine is sourced from PubChem (CID 139413899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).