4-methyl-N-phosphanylpent-4-en-1-imine

C6H12NP — CID 90750091

IUPAC4-methyl-N-phosphanylpent-4-en-1-imine
SMILESC=C(C)CCC=NP
InChIInChI=1S/C6H12NP/c1-6(2)4-3-5-7-8/h5H,1,3-4,8H2,2H3
InChIKeyXBXKOHUATFIJTN-UHFFFAOYSA-N
MW129.14 g/mol
LogP2.20
Rot. Bonds3

About 4-methyl-N-phosphanylpent-4-en-1-imine

4-methyl-N-phosphanylpent-4-en-1-imine (PubChem CID 90750091) has the molecular formula C6H12NP and a molecular weight of 129.14 g/mol. Its IUPAC name is 4-methyl-N-phosphanylpent-4-en-1-imine.

Molecular Properties

Compound Name4-methyl-N-phosphanylpent-4-en-1-imine
PubChem CID90750091
Molecular FormulaC6H12NP
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name4-methyl-N-phosphanylpent-4-en-1-imine
SMILESC=C(C)CCC=NP
InChIInChI=1S/C6H12NP/c1-6(2)4-3-5-7-8/h5H,1,3-4,8H2,2H3
InChIKeyXBXKOHUATFIJTN-UHFFFAOYSA-N
XLogP2.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phosphanylpent-4-en-1-imine?
The IUPAC name of 4-methyl-N-phosphanylpent-4-en-1-imine (CID 90750091) is 4-methyl-N-phosphanylpent-4-en-1-imine.
What is the SMILES notation for 4-methyl-N-phosphanylpent-4-en-1-imine?
The canonical SMILES for 4-methyl-N-phosphanylpent-4-en-1-imine is C=C(C)CCC=NP.
What is the InChIKey of 4-methyl-N-phosphanylpent-4-en-1-imine?
The InChIKey is XBXKOHUATFIJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NP/c1-6(2)4-3-5-7-8/h5H,1,3-4,8H2,2H3.
What are the key properties of 4-methyl-N-phosphanylpent-4-en-1-imine?
4-methyl-N-phosphanylpent-4-en-1-imine has a molecular weight of 129.14 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phosphanylpent-4-en-1-imine is sourced from PubChem (CID 90750091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).