(propan-2-ylamino)methylphosphinous acid

C4H12NOP — CID 134536303

IUPAC(propan-2-ylamino)methylphosphinous acid
SMILESCC(C)NCPO
InChIInChI=1S/C4H12NOP/c1-4(2)5-3-7-6/h4-7H,3H2,1-2H3
InChIKeyPHOCYMMGJJVLJA-UHFFFAOYSA-N
MW121.12 g/mol
LogP0.53
Rot. Bonds3

About (propan-2-ylamino)methylphosphinous acid

(propan-2-ylamino)methylphosphinous acid (PubChem CID 134536303) has the molecular formula C4H12NOP and a molecular weight of 121.12 g/mol. Its IUPAC name is (propan-2-ylamino)methylphosphinous acid.

Molecular Properties

Compound Name(propan-2-ylamino)methylphosphinous acid
PubChem CID134536303
Molecular FormulaC4H12NOP
Molecular Weight121.12 g/mol
Exact Mass121.07
IUPAC Name(propan-2-ylamino)methylphosphinous acid
SMILESCC(C)NCPO
InChIInChI=1S/C4H12NOP/c1-4(2)5-3-7-6/h4-7H,3H2,1-2H3
InChIKeyPHOCYMMGJJVLJA-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.12
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (propan-2-ylamino)methylphosphinous acid?
The IUPAC name of (propan-2-ylamino)methylphosphinous acid (CID 134536303) is (propan-2-ylamino)methylphosphinous acid.
What is the SMILES notation for (propan-2-ylamino)methylphosphinous acid?
The canonical SMILES for (propan-2-ylamino)methylphosphinous acid is CC(C)NCPO.
What is the InChIKey of (propan-2-ylamino)methylphosphinous acid?
The InChIKey is PHOCYMMGJJVLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NOP/c1-4(2)5-3-7-6/h4-7H,3H2,1-2H3.
What are the key properties of (propan-2-ylamino)methylphosphinous acid?
(propan-2-ylamino)methylphosphinous acid has a molecular weight of 121.12 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylamino)methylphosphinous acid is sourced from PubChem (CID 134536303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).