4-methylpent-3-en-1-imine

C6H11N — CID 90942321

IUPAC4-methylpent-3-en-1-imine
SMILES[H]/N=C/CC=C(C)C
InChIInChI=1S/C6H11N/c1-6(2)4-3-5-7/h4-5,7H,3H2,1-2H3/b7-5+
InChIKeyFRQLZBROMKAVFZ-FNORWQNLSA-N
MW97.16 g/mol
LogP1.99
Rot. Bonds2

About 4-methylpent-3-en-1-imine

4-methylpent-3-en-1-imine (PubChem CID 90942321) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 4-methylpent-3-en-1-imine.

Molecular Properties

Compound Name4-methylpent-3-en-1-imine
PubChem CID90942321
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name4-methylpent-3-en-1-imine
SMILES[H]/N=C/CC=C(C)C
InChIInChI=1S/C6H11N/c1-6(2)4-3-5-7/h4-5,7H,3H2,1-2H3/b7-5+
InChIKeyFRQLZBROMKAVFZ-FNORWQNLSA-N
XLogP1.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-3-en-1-imine?
The IUPAC name of 4-methylpent-3-en-1-imine (CID 90942321) is 4-methylpent-3-en-1-imine.
What is the SMILES notation for 4-methylpent-3-en-1-imine?
The canonical SMILES for 4-methylpent-3-en-1-imine is [H]/N=C/CC=C(C)C.
What is the InChIKey of 4-methylpent-3-en-1-imine?
The InChIKey is FRQLZBROMKAVFZ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)4-3-5-7/h4-5,7H,3H2,1-2H3/b7-5+.
What are the key properties of 4-methylpent-3-en-1-imine?
4-methylpent-3-en-1-imine has a molecular weight of 97.16 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-3-en-1-imine is sourced from PubChem (CID 90942321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).