2-methyl-N-(phosphonatomethyl)propan-2-amine

C5H12NO3P-2 — CID 20512659

IUPAC2-methyl-N-(phosphonatomethyl)propan-2-amine
SMILESCC(C)(C)NCP(=O)([O-])[O-]
InChIInChI=1S/C5H14NO3P/c1-5(2,3)6-4-10(7,8)9/h6H,4H2,1-3H3,(H2,7,8,9)/p-2
InChIKeyCQXLXIPNIZYMHR-UHFFFAOYSA-L
MW165.13 g/mol
LogP-0.75
Rot. Bonds2

About 2-methyl-N-(phosphonatomethyl)propan-2-amine

2-methyl-N-(phosphonatomethyl)propan-2-amine (PubChem CID 20512659) has the molecular formula C5H12NO3P-2 and a molecular weight of 165.13 g/mol. Its IUPAC name is 2-methyl-N-(phosphonatomethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(phosphonatomethyl)propan-2-amine
PubChem CID20512659
Molecular FormulaC5H12NO3P-2
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Name2-methyl-N-(phosphonatomethyl)propan-2-amine
SMILESCC(C)(C)NCP(=O)([O-])[O-]
InChIInChI=1S/C5H14NO3P/c1-5(2,3)6-4-10(7,8)9/h6H,4H2,1-3H3,(H2,7,8,9)/p-2
InChIKeyCQXLXIPNIZYMHR-UHFFFAOYSA-L
XLogP-0.75
TPSA75.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-N-(phosphonatomethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(phosphonatomethyl)propan-2-amine (CID 20512659) is 2-methyl-N-(phosphonatomethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(phosphonatomethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(phosphonatomethyl)propan-2-amine is CC(C)(C)NCP(=O)([O-])[O-].
What is the InChIKey of 2-methyl-N-(phosphonatomethyl)propan-2-amine?
The InChIKey is CQXLXIPNIZYMHR-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H14NO3P/c1-5(2,3)6-4-10(7,8)9/h6H,4H2,1-3H3,(H2,7,8,9)/p-2.
What are the key properties of 2-methyl-N-(phosphonatomethyl)propan-2-amine?
2-methyl-N-(phosphonatomethyl)propan-2-amine has a molecular weight of 165.13 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(phosphonatomethyl)propan-2-amine is sourced from PubChem (CID 20512659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).