N-diaminophosphorylbutan-2-amine

C4H14N3OP — CID 56632917

IUPACN-diaminophosphorylbutan-2-amine
SMILESCCC(C)NP(N)(N)=O
InChIInChI=1S/C4H14N3OP/c1-3-4(2)7-9(5,6)8/h4H,3H2,1-2H3,(H5,5,6,7,8)
InChIKeyYOHBCKFRFBMZKO-UHFFFAOYSA-N
MW151.15 g/mol
LogP0.40
Rot. Bonds3

About N-diaminophosphorylbutan-2-amine

N-diaminophosphorylbutan-2-amine (PubChem CID 56632917) has the molecular formula C4H14N3OP and a molecular weight of 151.15 g/mol. Its IUPAC name is N-diaminophosphorylbutan-2-amine.

Molecular Properties

Compound NameN-diaminophosphorylbutan-2-amine
PubChem CID56632917
Molecular FormulaC4H14N3OP
Molecular Weight151.15 g/mol
Exact Mass151.09
IUPAC NameN-diaminophosphorylbutan-2-amine
SMILESCCC(C)NP(N)(N)=O
InChIInChI=1S/C4H14N3OP/c1-3-4(2)7-9(5,6)8/h4H,3H2,1-2H3,(H5,5,6,7,8)
InChIKeyYOHBCKFRFBMZKO-UHFFFAOYSA-N
XLogP0.40
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.15
LogP ≤ 50.40
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-diaminophosphorylbutan-2-amine?
The IUPAC name of N-diaminophosphorylbutan-2-amine (CID 56632917) is N-diaminophosphorylbutan-2-amine.
What is the SMILES notation for N-diaminophosphorylbutan-2-amine?
The canonical SMILES for N-diaminophosphorylbutan-2-amine is CCC(C)NP(N)(N)=O.
What is the InChIKey of N-diaminophosphorylbutan-2-amine?
The InChIKey is YOHBCKFRFBMZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N3OP/c1-3-4(2)7-9(5,6)8/h4H,3H2,1-2H3,(H5,5,6,7,8).
What are the key properties of N-diaminophosphorylbutan-2-amine?
N-diaminophosphorylbutan-2-amine has a molecular weight of 151.15 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphorylbutan-2-amine is sourced from PubChem (CID 56632917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).