2-[methyl(propyl)phosphanyl]ethanimine

C6H14NP — CID 155171186

IUPAC2-[methyl(propyl)phosphanyl]ethanimine
SMILES[H]/N=C/CP(C)CCC
InChIInChI=1S/C6H14NP/c1-3-5-8(2)6-4-7/h4,7H,3,5-6H2,1-2H3/b7-4+
InChIKeyPSAFXJDCAZBKKI-QPJJXVBHSA-N
MW131.16 g/mol
LogP2.16
Rot. Bonds4

About 2-[methyl(propyl)phosphanyl]ethanimine

2-[methyl(propyl)phosphanyl]ethanimine (PubChem CID 155171186) has the molecular formula C6H14NP and a molecular weight of 131.16 g/mol. Its IUPAC name is 2-[methyl(propyl)phosphanyl]ethanimine.

Molecular Properties

Compound Name2-[methyl(propyl)phosphanyl]ethanimine
PubChem CID155171186
Molecular FormulaC6H14NP
Molecular Weight131.16 g/mol
Exact Mass131.09
IUPAC Name2-[methyl(propyl)phosphanyl]ethanimine
SMILES[H]/N=C/CP(C)CCC
InChIInChI=1S/C6H14NP/c1-3-5-8(2)6-4-7/h4,7H,3,5-6H2,1-2H3/b7-4+
InChIKeyPSAFXJDCAZBKKI-QPJJXVBHSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)phosphanyl]ethanimine?
The IUPAC name of 2-[methyl(propyl)phosphanyl]ethanimine (CID 155171186) is 2-[methyl(propyl)phosphanyl]ethanimine.
What is the SMILES notation for 2-[methyl(propyl)phosphanyl]ethanimine?
The canonical SMILES for 2-[methyl(propyl)phosphanyl]ethanimine is [H]/N=C/CP(C)CCC.
What is the InChIKey of 2-[methyl(propyl)phosphanyl]ethanimine?
The InChIKey is PSAFXJDCAZBKKI-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H14NP/c1-3-5-8(2)6-4-7/h4,7H,3,5-6H2,1-2H3/b7-4+.
What are the key properties of 2-[methyl(propyl)phosphanyl]ethanimine?
2-[methyl(propyl)phosphanyl]ethanimine has a molecular weight of 131.16 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)phosphanyl]ethanimine is sourced from PubChem (CID 155171186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).