1-deuterio-1-phosphanylpropan-1-amine

C3H10NP — CID 58402733

IUPAC1-deuterio-1-phosphanylpropan-1-amine
SMILES[2H]C(N)(P)CC
InChIInChI=1S/C3H10NP/c1-2-3(4)5/h3H,2,4-5H2,1H3/i3D
InChIKeyVOTINPMZRXIISN-WFVSFCRTSA-N
MW92.10 g/mol
LogP0.56
Rot. Bonds1

About 1-deuterio-1-phosphanylpropan-1-amine

1-deuterio-1-phosphanylpropan-1-amine (PubChem CID 58402733) has the molecular formula C3H10NP and a molecular weight of 92.10 g/mol. Its IUPAC name is 1-deuterio-1-phosphanylpropan-1-amine.

Molecular Properties

Compound Name1-deuterio-1-phosphanylpropan-1-amine
PubChem CID58402733
Molecular FormulaC3H10NP
Molecular Weight92.10 g/mol
Exact Mass92.06
IUPAC Name1-deuterio-1-phosphanylpropan-1-amine
SMILES[2H]C(N)(P)CC
InChIInChI=1S/C3H10NP/c1-2-3(4)5/h3H,2,4-5H2,1H3/i3D
InChIKeyVOTINPMZRXIISN-WFVSFCRTSA-N
XLogP0.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 50.56
H-Bond Donors ≤ 51
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 1-deuterio-1-phosphanylpropan-1-amine?
The IUPAC name of 1-deuterio-1-phosphanylpropan-1-amine (CID 58402733) is 1-deuterio-1-phosphanylpropan-1-amine.
What is the SMILES notation for 1-deuterio-1-phosphanylpropan-1-amine?
The canonical SMILES for 1-deuterio-1-phosphanylpropan-1-amine is [2H]C(N)(P)CC.
What is the InChIKey of 1-deuterio-1-phosphanylpropan-1-amine?
The InChIKey is VOTINPMZRXIISN-WFVSFCRTSA-N. The full InChI is InChI=1S/C3H10NP/c1-2-3(4)5/h3H,2,4-5H2,1H3/i3D.
What are the key properties of 1-deuterio-1-phosphanylpropan-1-amine?
1-deuterio-1-phosphanylpropan-1-amine has a molecular weight of 92.10 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-1-phosphanylpropan-1-amine is sourced from PubChem (CID 58402733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).