N-diaminophosphoryl-2,2-dimethylpropan-1-amine

C5H16N3OP — CID 56614366

IUPACN-diaminophosphoryl-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNP(N)(N)=O
InChIInChI=1S/C5H16N3OP/c1-5(2,3)4-8-10(6,7)9/h4H2,1-3H3,(H5,6,7,8,9)
InChIKeySXXIQZZSUHYSOL-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.65
Rot. Bonds2

About N-diaminophosphoryl-2,2-dimethylpropan-1-amine

N-diaminophosphoryl-2,2-dimethylpropan-1-amine (PubChem CID 56614366) has the molecular formula C5H16N3OP and a molecular weight of 165.18 g/mol. Its IUPAC name is N-diaminophosphoryl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-diaminophosphoryl-2,2-dimethylpropan-1-amine
PubChem CID56614366
Molecular FormulaC5H16N3OP
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-diaminophosphoryl-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNP(N)(N)=O
InChIInChI=1S/C5H16N3OP/c1-5(2,3)4-8-10(6,7)9/h4H2,1-3H3,(H5,6,7,8,9)
InChIKeySXXIQZZSUHYSOL-UHFFFAOYSA-N
XLogP0.65
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.65
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-diaminophosphoryl-2,2-dimethylpropan-1-amine?
The IUPAC name of N-diaminophosphoryl-2,2-dimethylpropan-1-amine (CID 56614366) is N-diaminophosphoryl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-diaminophosphoryl-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-diaminophosphoryl-2,2-dimethylpropan-1-amine is CC(C)(C)CNP(N)(N)=O.
What is the InChIKey of N-diaminophosphoryl-2,2-dimethylpropan-1-amine?
The InChIKey is SXXIQZZSUHYSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N3OP/c1-5(2,3)4-8-10(6,7)9/h4H2,1-3H3,(H5,6,7,8,9).
What are the key properties of N-diaminophosphoryl-2,2-dimethylpropan-1-amine?
N-diaminophosphoryl-2,2-dimethylpropan-1-amine has a molecular weight of 165.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 56614366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).