(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine

C11H19N — CID 145499159

IUPAC(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine
SMILESC=C/N=C/C(CC)=C(\C)CCC
InChIInChI=1S/C11H19N/c1-5-8-10(4)11(6-2)9-12-7-3/h7,9H,3,5-6,8H2,1-2,4H3/b11-10+,12-9+
InChIKeyMJEZIEBZBLSKHL-BFWCKKHCSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds5

About (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine

(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine (PubChem CID 145499159) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine
PubChem CID145499159
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine
SMILESC=C/N=C/C(CC)=C(\C)CCC
InChIInChI=1S/C11H19N/c1-5-8-10(4)11(6-2)9-12-7-3/h7,9H,3,5-6,8H2,1-2,4H3/b11-10+,12-9+
InChIKeyMJEZIEBZBLSKHL-BFWCKKHCSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
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

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(Z)-3-ethenylimino-2-methylprop-1-en-1-amine
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(2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine
CID 156543161
(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine
CID 166958594
6-ethyl-7-methyl-3-methylidenedeca-1,6-diene
CID 54189290
(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
CID 145480572
(3E)-3-ethyl-4-methylhexa-1,3-diene;methane;propane
CID 143938090
5-ethyl-4-methylnon-4-ene
CID 143021471
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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine?
The IUPAC name of (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine (CID 145499159) is (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine is C=C/N=C/C(CC)=C(\C)CCC.
What is the InChIKey of (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine?
The InChIKey is MJEZIEBZBLSKHL-BFWCKKHCSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-10(4)11(6-2)9-12-7-3/h7,9H,3,5-6,8H2,1-2,4H3/b11-10+,12-9+.
What are the key properties of (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine?
(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine is sourced from PubChem (CID 145499159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).