N-[bis(phosphanyl)methyl]ethanamine

C3H11NP2 — CID 57136516

IUPACN-[bis(phosphanyl)methyl]ethanamine
SMILESCCNC(P)P
InChIInChI=1S/C3H11NP2/c1-2-4-3(5)6/h3-4H,2,5-6H2,1H3
InChIKeyLKDVLJGWLRVTBO-UHFFFAOYSA-N
MW123.08 g/mol
LogP0.63
Rot. Bonds2

About N-[bis(phosphanyl)methyl]ethanamine

N-[bis(phosphanyl)methyl]ethanamine (PubChem CID 57136516) has the molecular formula C3H11NP2 and a molecular weight of 123.08 g/mol. Its IUPAC name is N-[bis(phosphanyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[bis(phosphanyl)methyl]ethanamine
PubChem CID57136516
Molecular FormulaC3H11NP2
Molecular Weight123.08 g/mol
Exact Mass123.04
IUPAC NameN-[bis(phosphanyl)methyl]ethanamine
SMILESCCNC(P)P
InChIInChI=1S/C3H11NP2/c1-2-4-3(5)6/h3-4H,2,5-6H2,1H3
InChIKeyLKDVLJGWLRVTBO-UHFFFAOYSA-N
XLogP0.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.08
LogP ≤ 50.63
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 N-[bis(phosphanyl)methyl]ethanamine?
The IUPAC name of N-[bis(phosphanyl)methyl]ethanamine (CID 57136516) is N-[bis(phosphanyl)methyl]ethanamine.
What is the SMILES notation for N-[bis(phosphanyl)methyl]ethanamine?
The canonical SMILES for N-[bis(phosphanyl)methyl]ethanamine is CCNC(P)P.
What is the InChIKey of N-[bis(phosphanyl)methyl]ethanamine?
The InChIKey is LKDVLJGWLRVTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NP2/c1-2-4-3(5)6/h3-4H,2,5-6H2,1H3.
What are the key properties of N-[bis(phosphanyl)methyl]ethanamine?
N-[bis(phosphanyl)methyl]ethanamine has a molecular weight of 123.08 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(phosphanyl)methyl]ethanamine is sourced from PubChem (CID 57136516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).