(E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine

C12H23N — CID 144523747

IUPAC(E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine
SMILES[H]/N=C(C(/CC)=C(\C)C(C)C)\C(C)C
InChIInChI=1S/C12H23N/c1-7-11(10(6)8(2)3)12(13)9(4)5/h8-9,13H,7H2,1-6H3/b11-10+,13-12+
InChIKeyWRNAQOYOIYHTRS-AQASXUMVSA-N
MW181.32 g/mol
LogP4.04
Rot. Bonds4

About (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine

(E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine (PubChem CID 144523747) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine.

Molecular Properties

Compound Name(E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine
PubChem CID144523747
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine
SMILES[H]/N=C(C(/CC)=C(\C)C(C)C)\C(C)C
InChIInChI=1S/C12H23N/c1-7-11(10(6)8(2)3)12(13)9(4)5/h8-9,13H,7H2,1-6H3/b11-10+,13-12+
InChIKeyWRNAQOYOIYHTRS-AQASXUMVSA-N
XLogP4.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,5,6-Triethylcyclohex-4-en-2-yn-1-imine
CID 57136029
CID 66895763
CID 66895763
4-Ethyl-3-methylhex-3-en-2-imine
CID 88311275
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038331
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
(E)-2,6-dimethyloct-6-en-3-imine
CID 89688388
(Z)-4,5-dimethylhept-5-en-2-imine
CID 89961034
(Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine
CID 90075918
(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine
CID 90713365
(Z)-6,9-dimethyl-4-methylidenedec-6-en-5-imine
CID 90805601
2,2,3,4,5-Pentamethylcyclopent-3-en-1-imine
CID 90908321
Ethane;4-(2-methylidenebutyl)cyclohexa-2,5-dien-1-imine
CID 90971199

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine?
The IUPAC name of (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine (CID 144523747) is (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine.
What is the SMILES notation for (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine?
The canonical SMILES for (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine is [H]/N=C(C(/CC)=C(\C)C(C)C)\C(C)C.
What is the InChIKey of (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine?
The InChIKey is WRNAQOYOIYHTRS-AQASXUMVSA-N. The full InChI is InChI=1S/C12H23N/c1-7-11(10(6)8(2)3)12(13)9(4)5/h8-9,13H,7H2,1-6H3/b11-10+,13-12+.
What are the key properties of (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine?
(E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine has a molecular weight of 181.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine is sourced from PubChem (CID 144523747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).