2-[bis(2-aminoethyl)phosphanyl]ethanamine

C6H18N3P — CID 19977608

IUPAC2-[bis(2-aminoethyl)phosphanyl]ethanamine
SMILESNCCP(CCN)CCN
InChIInChI=1S/C6H18N3P/c7-1-4-10(5-2-8)6-3-9/h1-9H2
InChIKeyUUOHUGUNJAQVQO-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.66
Rot. Bonds6

About 2-[bis(2-aminoethyl)phosphanyl]ethanamine

2-[bis(2-aminoethyl)phosphanyl]ethanamine (PubChem CID 19977608) has the molecular formula C6H18N3P and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-[bis(2-aminoethyl)phosphanyl]ethanamine.

Molecular Properties

Compound Name2-[bis(2-aminoethyl)phosphanyl]ethanamine
PubChem CID19977608
Molecular FormulaC6H18N3P
Molecular Weight163.20 g/mol
Exact Mass163.12
IUPAC Name2-[bis(2-aminoethyl)phosphanyl]ethanamine
SMILESNCCP(CCN)CCN
InChIInChI=1S/C6H18N3P/c7-1-4-10(5-2-8)6-3-9/h1-9H2
InChIKeyUUOHUGUNJAQVQO-UHFFFAOYSA-N
XLogP-0.66
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-aminoethyl)phosphanyl]ethanamine?
The IUPAC name of 2-[bis(2-aminoethyl)phosphanyl]ethanamine (CID 19977608) is 2-[bis(2-aminoethyl)phosphanyl]ethanamine.
What is the SMILES notation for 2-[bis(2-aminoethyl)phosphanyl]ethanamine?
The canonical SMILES for 2-[bis(2-aminoethyl)phosphanyl]ethanamine is NCCP(CCN)CCN.
What is the InChIKey of 2-[bis(2-aminoethyl)phosphanyl]ethanamine?
The InChIKey is UUOHUGUNJAQVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3P/c7-1-4-10(5-2-8)6-3-9/h1-9H2.
What are the key properties of 2-[bis(2-aminoethyl)phosphanyl]ethanamine?
2-[bis(2-aminoethyl)phosphanyl]ethanamine has a molecular weight of 163.20 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-aminoethyl)phosphanyl]ethanamine is sourced from PubChem (CID 19977608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).