2-phosphanylethane-1,1,1-triamine

C2H10N3P — CID 57069573

IUPAC2-phosphanylethane-1,1,1-triamine
SMILESNC(N)(N)CP
InChIInChI=1S/C2H10N3P/c3-2(4,5)1-6/h1,3-6H2
InChIKeyLXLWJDTWZWQNMB-UHFFFAOYSA-N
MW107.10 g/mol
LogP-1.61
Rot. Bonds1

About 2-phosphanylethane-1,1,1-triamine

2-phosphanylethane-1,1,1-triamine (PubChem CID 57069573) has the molecular formula C2H10N3P and a molecular weight of 107.10 g/mol. Its IUPAC name is 2-phosphanylethane-1,1,1-triamine.

Molecular Properties

Compound Name2-phosphanylethane-1,1,1-triamine
PubChem CID57069573
Molecular FormulaC2H10N3P
Molecular Weight107.10 g/mol
Exact Mass107.06
IUPAC Name2-phosphanylethane-1,1,1-triamine
SMILESNC(N)(N)CP
InChIInChI=1S/C2H10N3P/c3-2(4,5)1-6/h1,3-6H2
InChIKeyLXLWJDTWZWQNMB-UHFFFAOYSA-N
XLogP-1.61
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phosphanylethane-1,1,1-triamine?
The IUPAC name of 2-phosphanylethane-1,1,1-triamine (CID 57069573) is 2-phosphanylethane-1,1,1-triamine.
What is the SMILES notation for 2-phosphanylethane-1,1,1-triamine?
The canonical SMILES for 2-phosphanylethane-1,1,1-triamine is NC(N)(N)CP.
What is the InChIKey of 2-phosphanylethane-1,1,1-triamine?
The InChIKey is LXLWJDTWZWQNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10N3P/c3-2(4,5)1-6/h1,3-6H2.
What are the key properties of 2-phosphanylethane-1,1,1-triamine?
2-phosphanylethane-1,1,1-triamine has a molecular weight of 107.10 g/mol, XLogP of -1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanylethane-1,1,1-triamine is sourced from PubChem (CID 57069573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).