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

C9H17N — CID 123416637

IUPACN-[(E)-2-methylhex-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)CCCC
InChIInChI=1S/C9H17N/c1-4-6-7-9(3)8-10-5-2/h5,8H,4,6-7H2,1-3H3/b9-8+,10-5+
InChIKeyYIJSJBJYDQTVRT-VZGHUFTCSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds4

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

N-[(E)-2-methylhex-1-enyl]ethanimine (PubChem CID 123416637) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(E)-2-methylhex-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-2-methylhex-1-enyl]ethanimine
PubChem CID123416637
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(E)-2-methylhex-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)CCCC
InChIInChI=1S/C9H17N/c1-4-6-7-9(3)8-10-5-2/h5,8H,4,6-7H2,1-3H3/b9-8+,10-5+
InChIKeyYIJSJBJYDQTVRT-VZGHUFTCSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.17
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

5-Ethyl-3,4-dihydropyridine
CID 14979265
N-[(E)-5-fluoro-2-methylhex-1-enyl]prop-2-en-1-imine
CID 166991129
3,7-Diethyl-5-azanona-3,5-diene
CID 12413470
N-(cyclohexylidenemethyl)propan-1-imine
CID 12942395
5-Methyl-3,4-dihydropyridine
CID 14979264
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
N-heptylidene-(2-methylpropenylamine)
CID 20436098
N-hept-1-enyl-2-methylpropan-1-imine
CID 53800476
N-propylidene-(2-ethylhexen-1-yl-amine)
CID 53884118
N-hex-1-enylhexan-1-imine
CID 53896020
2-methyl-N-(2-methylpent-1-enyl)pentan-1-imine
CID 54531657
5-Butyl-3,4-dihydropyridine
CID 56992845

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methylhex-1-enyl]ethanimine?
The IUPAC name of N-[(E)-2-methylhex-1-enyl]ethanimine (CID 123416637) is N-[(E)-2-methylhex-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-2-methylhex-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-2-methylhex-1-enyl]ethanimine is C/C=N/C=C(\C)CCCC.
What is the InChIKey of N-[(E)-2-methylhex-1-enyl]ethanimine?
The InChIKey is YIJSJBJYDQTVRT-VZGHUFTCSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-9(3)8-10-5-2/h5,8H,4,6-7H2,1-3H3/b9-8+,10-5+.
What are the key properties of N-[(E)-2-methylhex-1-enyl]ethanimine?
N-[(E)-2-methylhex-1-enyl]ethanimine has a molecular weight of 139.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylhex-1-enyl]ethanimine is sourced from PubChem (CID 123416637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).