1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine

C11H15N — CID 169233651

IUPAC1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
SMILES[H]/N=C(\C=C)C1=C(C)CCC=C1C
InChIInChI=1S/C11H15N/c1-4-10(12)11-8(2)6-5-7-9(11)3/h4,6,12H,1,5,7H2,2-3H3/b12-10+
InChIKeyJOFNWQHHSQHQFF-ZRDIBKRKSA-N
MW161.25 g/mol
LogP3.25
Rot. Bonds2

About 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine

1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine (PubChem CID 169233651) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
PubChem CID169233651
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
SMILES[H]/N=C(\C=C)C1=C(C)CCC=C1C
InChIInChI=1S/C11H15N/c1-4-10(12)11-8(2)6-5-7-9(11)3/h4,6,12H,1,5,7H2,2-3H3/b12-10+
InChIKeyJOFNWQHHSQHQFF-ZRDIBKRKSA-N
XLogP3.25
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.25
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

(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene
CID 163245069
(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 163245070
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255
(Z)-3-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyliminoprop-1-en-1-amine;ethane
CID 163245894
dimethyl 3-methylcyclohexa-2,6-diene-1,2-dicarboxylate
CID 12842808
1-(5-prop-2-enimidoylthiophen-2-yl)ethanone
CID 143286724
2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene
CID 10844978
1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene
CID 145256525
2-butyl-3-methyl-1-[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexa-1,3-diene
CID 144613975
6-tert-butyl-2-methylcyclohepta-2,6-dien-1-imine
CID 91437087
2-prop-2-enimidoylbenzene-1,4-diamine
CID 176988538

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
The IUPAC name of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine (CID 169233651) is 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine.
What is the SMILES notation for 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
The canonical SMILES for 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine is [H]/N=C(\C=C)C1=C(C)CCC=C1C.
What is the InChIKey of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
The InChIKey is JOFNWQHHSQHQFF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15N/c1-4-10(12)11-8(2)6-5-7-9(11)3/h4,6,12H,1,5,7H2,2-3H3/b12-10+.
What are the key properties of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine has a molecular weight of 161.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 169233651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).