N-diaminophosphorylpropan-2-amine

C3H12N3OP — CID 56629539

IUPACN-diaminophosphorylpropan-2-amine
SMILESCC(C)NP(N)(N)=O
InChIInChI=1S/C3H12N3OP/c1-3(2)6-8(4,5)7/h3H,1-2H3,(H5,4,5,6,7)
InChIKeyJQHXFCDLCOJRAJ-UHFFFAOYSA-N
MW137.12 g/mol
LogP0.01
Rot. Bonds2

About N-diaminophosphorylpropan-2-amine

N-diaminophosphorylpropan-2-amine (PubChem CID 56629539) has the molecular formula C3H12N3OP and a molecular weight of 137.12 g/mol. Its IUPAC name is N-diaminophosphorylpropan-2-amine.

Molecular Properties

Compound NameN-diaminophosphorylpropan-2-amine
PubChem CID56629539
Molecular FormulaC3H12N3OP
Molecular Weight137.12 g/mol
Exact Mass137.07
IUPAC NameN-diaminophosphorylpropan-2-amine
SMILESCC(C)NP(N)(N)=O
InChIInChI=1S/C3H12N3OP/c1-3(2)6-8(4,5)7/h3H,1-2H3,(H5,4,5,6,7)
InChIKeyJQHXFCDLCOJRAJ-UHFFFAOYSA-N
XLogP0.01
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diaminophosphorylpropan-2-amine?
The IUPAC name of N-diaminophosphorylpropan-2-amine (CID 56629539) is N-diaminophosphorylpropan-2-amine.
What is the SMILES notation for N-diaminophosphorylpropan-2-amine?
The canonical SMILES for N-diaminophosphorylpropan-2-amine is CC(C)NP(N)(N)=O.
What is the InChIKey of N-diaminophosphorylpropan-2-amine?
The InChIKey is JQHXFCDLCOJRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N3OP/c1-3(2)6-8(4,5)7/h3H,1-2H3,(H5,4,5,6,7).
What are the key properties of N-diaminophosphorylpropan-2-amine?
N-diaminophosphorylpropan-2-amine has a molecular weight of 137.12 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphorylpropan-2-amine is sourced from PubChem (CID 56629539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).