6-ethylcyclohex-2-en-1-imine

C8H13N — CID 123419578

IUPAC6-ethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCCC1CC
InChIInChI=1S/C8H13N/c1-2-7-5-3-4-6-8(7)9/h4,6-7,9H,2-3,5H2,1H3/b9-8+
InChIKeyQRZYLASJMZKSJW-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.38
Rot. Bonds1

About 6-ethylcyclohex-2-en-1-imine

6-ethylcyclohex-2-en-1-imine (PubChem CID 123419578) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 6-ethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name6-ethylcyclohex-2-en-1-imine
PubChem CID123419578
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name6-ethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCCC1CC
InChIInChI=1S/C8H13N/c1-2-7-5-3-4-6-8(7)9/h4,6-7,9H,2-3,5H2,1H3/b9-8+
InChIKeyQRZYLASJMZKSJW-CMDGGOBGSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.38
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

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
6-Fluoro-4-methylcyclohex-2-en-1-imine
CID 91163671
(E)-(6-fluoro-4,5-dimethylcyclohex-2-en-1-ylidene)hydrazine
CID 91522104
6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
1-Cyclohexyl-imino-2-butene
CID 129765474
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142417735
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402

Frequently Asked Questions

What is the IUPAC name of 6-ethylcyclohex-2-en-1-imine?
The IUPAC name of 6-ethylcyclohex-2-en-1-imine (CID 123419578) is 6-ethylcyclohex-2-en-1-imine.
What is the SMILES notation for 6-ethylcyclohex-2-en-1-imine?
The canonical SMILES for 6-ethylcyclohex-2-en-1-imine is [H]/N=C1\C=CCCC1CC.
What is the InChIKey of 6-ethylcyclohex-2-en-1-imine?
The InChIKey is QRZYLASJMZKSJW-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c1-2-7-5-3-4-6-8(7)9/h4,6-7,9H,2-3,5H2,1H3/b9-8+.
What are the key properties of 6-ethylcyclohex-2-en-1-imine?
6-ethylcyclohex-2-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylcyclohex-2-en-1-imine is sourced from PubChem (CID 123419578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).