N-[(E)-2-methylpent-1-enyl]ethanimine

C8H15N — CID 89343582

IUPACN-[(E)-2-methylpent-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)CCC
InChIInChI=1S/C8H15N/c1-4-6-8(3)7-9-5-2/h5,7H,4,6H2,1-3H3/b8-7+,9-5+
InChIKeySMRJLZAPYFUDEG-DMQCZMPNSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds3

About N-[(E)-2-methylpent-1-enyl]ethanimine

N-[(E)-2-methylpent-1-enyl]ethanimine (PubChem CID 89343582) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(E)-2-methylpent-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-2-methylpent-1-enyl]ethanimine
PubChem CID89343582
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(E)-2-methylpent-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)CCC
InChIInChI=1S/C8H15N/c1-4-6-8(3)7-9-5-2/h5,7H,4,6H2,1-3H3/b8-7+,9-5+
InChIKeySMRJLZAPYFUDEG-DMQCZMPNSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
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 N-[(E)-2-methylpent-1-enyl]ethanimine?
The IUPAC name of N-[(E)-2-methylpent-1-enyl]ethanimine (CID 89343582) is N-[(E)-2-methylpent-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-2-methylpent-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-2-methylpent-1-enyl]ethanimine is C/C=N/C=C(\C)CCC.
What is the InChIKey of N-[(E)-2-methylpent-1-enyl]ethanimine?
The InChIKey is SMRJLZAPYFUDEG-DMQCZMPNSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8(3)7-9-5-2/h5,7H,4,6H2,1-3H3/b8-7+,9-5+.
What are the key properties of N-[(E)-2-methylpent-1-enyl]ethanimine?
N-[(E)-2-methylpent-1-enyl]ethanimine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylpent-1-enyl]ethanimine is sourced from PubChem (CID 89343582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).