2-methyl-N-propylpenta-1,4-dien-3-imine

C9H15N — CID 123640101

IUPAC2-methyl-N-propylpenta-1,4-dien-3-imine
SMILESC=C/C(=N\CCC)C(=C)C
InChIInChI=1S/C9H15N/c1-5-7-10-9(6-2)8(3)4/h6H,2-3,5,7H2,1,4H3/b10-9+
InChIKeyLCFYFISWKIUBDN-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-N-propylpenta-1,4-dien-3-imine

2-methyl-N-propylpenta-1,4-dien-3-imine (PubChem CID 123640101) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-methyl-N-propylpenta-1,4-dien-3-imine.

Molecular Properties

Compound Name2-methyl-N-propylpenta-1,4-dien-3-imine
PubChem CID123640101
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-methyl-N-propylpenta-1,4-dien-3-imine
SMILESC=C/C(=N\CCC)C(=C)C
InChIInChI=1S/C9H15N/c1-5-7-10-9(6-2)8(3)4/h6H,2-3,5,7H2,1,4H3/b10-9+
InChIKeyLCFYFISWKIUBDN-MDZDMXLPSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propylpenta-1,4-dien-3-imine?
The IUPAC name of 2-methyl-N-propylpenta-1,4-dien-3-imine (CID 123640101) is 2-methyl-N-propylpenta-1,4-dien-3-imine.
What is the SMILES notation for 2-methyl-N-propylpenta-1,4-dien-3-imine?
The canonical SMILES for 2-methyl-N-propylpenta-1,4-dien-3-imine is C=C/C(=N\CCC)C(=C)C.
What is the InChIKey of 2-methyl-N-propylpenta-1,4-dien-3-imine?
The InChIKey is LCFYFISWKIUBDN-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-10-9(6-2)8(3)4/h6H,2-3,5,7H2,1,4H3/b10-9+.
What are the key properties of 2-methyl-N-propylpenta-1,4-dien-3-imine?
2-methyl-N-propylpenta-1,4-dien-3-imine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propylpenta-1,4-dien-3-imine is sourced from PubChem (CID 123640101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).