(E)-3-ethyl-N,6-dimethylhept-2-en-1-imine

C11H21N — CID 171833508

IUPAC(E)-3-ethyl-N,6-dimethylhept-2-en-1-imine
SMILESCC/C(=C\C=N\C)CCC(C)C
InChIInChI=1S/C11H21N/c1-5-11(8-9-12-4)7-6-10(2)3/h8-10H,5-7H2,1-4H3/b11-8+,12-9+
InChIKeyCPGBZKBEXMWDQH-HZOWPXDZSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds5

About (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine

(E)-3-ethyl-N,6-dimethylhept-2-en-1-imine (PubChem CID 171833508) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-ethyl-N,6-dimethylhept-2-en-1-imine
PubChem CID171833508
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-3-ethyl-N,6-dimethylhept-2-en-1-imine
SMILESCC/C(=C\C=N\C)CCC(C)C
InChIInChI=1S/C11H21N/c1-5-11(8-9-12-4)7-6-10(2)3/h8-10H,5-7H2,1-4H3/b11-8+,12-9+
InChIKeyCPGBZKBEXMWDQH-HZOWPXDZSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
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

(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
(2Z,6Z)-2-fluoro-5-methyl-6-propyl-4,5-dihydroazocine
CID 173678457
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
N-tert-butyl-3,7-dimethyloct-6-en-1-imine
CID 20591843
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592
(Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine
CID 87978024
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
(Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine
CID 89029589
(E)-4-ethenyl-N-methylhept-2-en-1-imine
CID 89064411
(Z)-N-methyl-3-prop-1-en-2-yloct-2-en-1-imine
CID 89322701
(2Z,7E)-N,4-dimethyl-5-[(Z)-prop-1-enyl]nona-2,7-dien-1-imine
CID 89327958

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine?
The IUPAC name of (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine (CID 171833508) is (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine.
What is the SMILES notation for (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine?
The canonical SMILES for (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine is CC/C(=C\C=N\C)CCC(C)C.
What is the InChIKey of (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine?
The InChIKey is CPGBZKBEXMWDQH-HZOWPXDZSA-N. The full InChI is InChI=1S/C11H21N/c1-5-11(8-9-12-4)7-6-10(2)3/h8-10H,5-7H2,1-4H3/b11-8+,12-9+.
What are the key properties of (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine?
(E)-3-ethyl-N,6-dimethylhept-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N,6-dimethylhept-2-en-1-imine is sourced from PubChem (CID 171833508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).