N'-ethyl-N'-phosphanylethane-1,2-diamine

C4H13N2P — CID 88508729

IUPACN'-ethyl-N'-phosphanylethane-1,2-diamine
SMILESCCN(P)CCN
InChIInChI=1S/C4H13N2P/c1-2-6(7)4-3-5/h2-5,7H2,1H3
InChIKeyNGJSGDWIFRFZJW-UHFFFAOYSA-N
MW120.14 g/mol
LogP0.06
Rot. Bonds3

About N'-ethyl-N'-phosphanylethane-1,2-diamine

N'-ethyl-N'-phosphanylethane-1,2-diamine (PubChem CID 88508729) has the molecular formula C4H13N2P and a molecular weight of 120.14 g/mol. Its IUPAC name is N'-ethyl-N'-phosphanylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-phosphanylethane-1,2-diamine
PubChem CID88508729
Molecular FormulaC4H13N2P
Molecular Weight120.14 g/mol
Exact Mass120.08
IUPAC NameN'-ethyl-N'-phosphanylethane-1,2-diamine
SMILESCCN(P)CCN
InChIInChI=1S/C4H13N2P/c1-2-6(7)4-3-5/h2-5,7H2,1H3
InChIKeyNGJSGDWIFRFZJW-UHFFFAOYSA-N
XLogP0.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.14
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-ethyl-N'-phosphanylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-phosphanylethane-1,2-diamine (CID 88508729) is N'-ethyl-N'-phosphanylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-phosphanylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-phosphanylethane-1,2-diamine is CCN(P)CCN.
What is the InChIKey of N'-ethyl-N'-phosphanylethane-1,2-diamine?
The InChIKey is NGJSGDWIFRFZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N2P/c1-2-6(7)4-3-5/h2-5,7H2,1H3.
What are the key properties of N'-ethyl-N'-phosphanylethane-1,2-diamine?
N'-ethyl-N'-phosphanylethane-1,2-diamine has a molecular weight of 120.14 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-phosphanylethane-1,2-diamine is sourced from PubChem (CID 88508729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).