(Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane

C15H26N2 — CID 163245894

IUPAC(Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane
SMILESCC.CC/N=C(/C=C\N)C1=C(C)CCC=C1C
InChIInChI=1S/C13H20N2.C2H6/c1-4-15-12(8-9-14)13-10(2)6-5-7-11(13)3;1-2/h6,8-9H,4-5,7,14H2,1-3H3;1-2H3/b9-8-,15-12-;
InChIKeyRGZDMXCXTZLUKZ-CSOFINOYSA-N
MW234.39 g/mol
LogP4.00
Rot. Bonds3

About (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane

(Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane (PubChem CID 163245894) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane
PubChem CID163245894
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane
SMILESCC.CC/N=C(/C=C\N)C1=C(C)CCC=C1C
InChIInChI=1S/C13H20N2.C2H6/c1-4-15-12(8-9-14)13-10(2)6-5-7-11(13)3;1-2/h6,8-9H,4-5,7,14H2,1-3H3;1-2H3/b9-8-,15-12-;
InChIKeyRGZDMXCXTZLUKZ-CSOFINOYSA-N
XLogP4.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 169233651
(1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine
CID 144661992
ethane;1-methylcyclobutene
CID 91484029
ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine
CID 145259417
5,6-dimethylcyclohexa-1,5-dien-1-amine
CID 143080216
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255
dimethyl 3-methylcyclohexa-2,6-diene-1,2-dicarboxylate
CID 12842808
(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol
CID 134889538
ethyl (E)-6-hydroxy-6-(5-oxocyclopenten-1-yl)hex-2-enoate
CID 101388018
1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene
CID 166131754
(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 163245070

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane?
The IUPAC name of (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane (CID 163245894) is (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane.
What is the SMILES notation for (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane?
The canonical SMILES for (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane is CC.CC/N=C(/C=C\N)C1=C(C)CCC=C1C.
What is the InChIKey of (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane?
The InChIKey is RGZDMXCXTZLUKZ-CSOFINOYSA-N. The full InChI is InChI=1S/C13H20N2.C2H6/c1-4-15-12(8-9-14)13-10(2)6-5-7-11(13)3;1-2/h6,8-9H,4-5,7,14H2,1-3H3;1-2H3/b9-8-,15-12-;.
What are the key properties of (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane?
(Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane has a molecular weight of 234.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane is sourced from PubChem (CID 163245894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).