4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine

C9H15N — CID 142378554

IUPAC4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine
SMILESC=C/C(=N\C(=C)C)C(C)C
InChIInChI=1S/C9H15N/c1-6-9(7(2)3)10-8(4)5/h6-7H,1,4H2,2-3,5H3/b10-9+
InChIKeyBCUMEGQAEZIYFR-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

About 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine

4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine (PubChem CID 142378554) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine.

Molecular Properties

Compound Name4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine
PubChem CID142378554
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine
SMILESC=C/C(=N\C(=C)C)C(C)C
InChIInChI=1S/C9H15N/c1-6-9(7(2)3)10-8(4)5/h6-7H,1,4H2,2-3,5H3/b10-9+
InChIKeyBCUMEGQAEZIYFR-MDZDMXLPSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(1-fluoroethenyl)-4-methylpent-1-en-3-imine
CID 142378559
2,3-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68404427
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
N-[(Z)-but-2-en-2-yl]pent-1-en-3-imine
CID 118614934
(Z)-2-methyl-N-[(E)-pent-2-en-2-yl]hex-4-en-3-imine
CID 121480618
N-[(1Z)-buta-1,3-dienyl]-4-methylpent-1-en-3-imine
CID 126626592
(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine
CID 130348007
4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 137470078
N-[(E)-but-2-en-2-yl]-3-methylbut-3-en-2-imine;ethene
CID 141826331
(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine
CID 142120231
N-prop-1-en-2-ylpent-1-en-3-imine
CID 142229337
Ethane;2-ethenyl-7-propan-2-yl-1-azacyclohepta-2,4,5,7-tetraene
CID 142460566

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine?
The IUPAC name of 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine (CID 142378554) is 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine.
What is the SMILES notation for 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine?
The canonical SMILES for 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine is C=C/C(=N\C(=C)C)C(C)C.
What is the InChIKey of 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine?
The InChIKey is BCUMEGQAEZIYFR-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-6-9(7(2)3)10-8(4)5/h6-7H,1,4H2,2-3,5H3/b10-9+.
What are the key properties of 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine?
4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-1-en-2-ylpent-1-en-3-imine is sourced from PubChem (CID 142378554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).