N'-(2-phosphanylethyl)ethane-1,2-diamine

C4H13N2P — CID 88508735

IUPACN'-(2-phosphanylethyl)ethane-1,2-diamine
SMILESNCCNCCP
InChIInChI=1S/C4H13N2P/c5-1-2-6-3-4-7/h6H,1-5,7H2
InChIKeyVKCXZIZRTISGEH-UHFFFAOYSA-N
MW120.14 g/mol
LogP-0.59
Rot. Bonds4

About N'-(2-phosphanylethyl)ethane-1,2-diamine

N'-(2-phosphanylethyl)ethane-1,2-diamine (PubChem CID 88508735) has the molecular formula C4H13N2P and a molecular weight of 120.14 g/mol. Its IUPAC name is N'-(2-phosphanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-phosphanylethyl)ethane-1,2-diamine
PubChem CID88508735
Molecular FormulaC4H13N2P
Molecular Weight120.14 g/mol
Exact Mass120.08
IUPAC NameN'-(2-phosphanylethyl)ethane-1,2-diamine
SMILESNCCNCCP
InChIInChI=1S/C4H13N2P/c5-1-2-6-3-4-7/h6H,1-5,7H2
InChIKeyVKCXZIZRTISGEH-UHFFFAOYSA-N
XLogP-0.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.14
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-phosphanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-phosphanylethyl)ethane-1,2-diamine (CID 88508735) is N'-(2-phosphanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-phosphanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-phosphanylethyl)ethane-1,2-diamine is NCCNCCP.
What is the InChIKey of N'-(2-phosphanylethyl)ethane-1,2-diamine?
The InChIKey is VKCXZIZRTISGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N2P/c5-1-2-6-3-4-7/h6H,1-5,7H2.
What are the key properties of N'-(2-phosphanylethyl)ethane-1,2-diamine?
N'-(2-phosphanylethyl)ethane-1,2-diamine has a molecular weight of 120.14 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phosphanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 88508735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).