N-[(E)-4-methylhex-2-en-2-yl]ethanimine

C9H17N — CID 90864591

IUPACN-[(E)-4-methylhex-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C/C(C)CC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(4)10-6-2/h6-8H,5H2,1-4H3/b9-7+,10-6+
InChIKeyGGUGVDXLVZGTNW-IDXDHNASSA-N
MW139.24 g/mol
LogP3.03
Rot. Bonds3

About N-[(E)-4-methylhex-2-en-2-yl]ethanimine

N-[(E)-4-methylhex-2-en-2-yl]ethanimine (PubChem CID 90864591) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(E)-4-methylhex-2-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(E)-4-methylhex-2-en-2-yl]ethanimine
PubChem CID90864591
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(E)-4-methylhex-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C/C(C)CC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(4)10-6-2/h6-8H,5H2,1-4H3/b9-7+,10-6+
InChIKeyGGUGVDXLVZGTNW-IDXDHNASSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.03
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

(4R)-2,4-dimethylhex-2-ene
CID 142611901
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine
CID 166865760
(E)-4-methyl-N-propan-2-ylhex-2-en-2-amine
CID 166949903
4,6-dimethyloct-4-enal
CID 71411187
N-[(Z)-1-methylsulfanylprop-1-en-2-yl]ethanimine
CID 130370297
N'-ethyl-N-(2-methylbutylidene)ethanimidamide
CID 142099133
(2E,4Z)-2,4,6-trimethylocta-2,4-dien-1-ol
CID 101448778
ethyl (Z)-2-acetyl-4-methylhex-2-enoate
CID 25137440
3-(chloromethyl)-2,5-dimethylhept-3-ene
CID 115278020
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-methylhex-2-en-2-yl]ethanimine?
The IUPAC name of N-[(E)-4-methylhex-2-en-2-yl]ethanimine (CID 90864591) is N-[(E)-4-methylhex-2-en-2-yl]ethanimine.
What is the SMILES notation for N-[(E)-4-methylhex-2-en-2-yl]ethanimine?
The canonical SMILES for N-[(E)-4-methylhex-2-en-2-yl]ethanimine is C/C=N/C(C)=C/C(C)CC.
What is the InChIKey of N-[(E)-4-methylhex-2-en-2-yl]ethanimine?
The InChIKey is GGUGVDXLVZGTNW-IDXDHNASSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(3)7-9(4)10-6-2/h6-8H,5H2,1-4H3/b9-7+,10-6+.
What are the key properties of N-[(E)-4-methylhex-2-en-2-yl]ethanimine?
N-[(E)-4-methylhex-2-en-2-yl]ethanimine has a molecular weight of 139.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methylhex-2-en-2-yl]ethanimine is sourced from PubChem (CID 90864591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).