ethane;4-ethyl-N-methylcyclohex-2-en-1-imine

C11H21N — CID 142053780

IUPACethane;4-ethyl-N-methylcyclohex-2-en-1-imine
SMILESCC.CCC1C=C/C(=N/C)CC1
InChIInChI=1S/C9H15N.C2H6/c1-3-8-4-6-9(10-2)7-5-8;1-2/h4,6,8H,3,5,7H2,1-2H3;1-2H3/b10-9-;
InChIKeyIZASAXNNABLZLH-KVVVOXFISA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds1

About ethane;4-ethyl-N-methylcyclohex-2-en-1-imine

ethane;4-ethyl-N-methylcyclohex-2-en-1-imine (PubChem CID 142053780) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;4-ethyl-N-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Nameethane;4-ethyl-N-methylcyclohex-2-en-1-imine
PubChem CID142053780
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;4-ethyl-N-methylcyclohex-2-en-1-imine
SMILESCC.CCC1C=C/C(=N/C)CC1
InChIInChI=1S/C9H15N.C2H6/c1-3-8-4-6-9(10-2)7-5-8;1-2/h4,6,8H,3,5,7H2,1-2H3;1-2H3/b10-9-;
InChIKeyIZASAXNNABLZLH-KVVVOXFISA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
1-Cyclohexyl-imino-2-butene
CID 129765474
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
6-[(2S)-butan-2-yl]-3-fluoro-2,3-dihydropyridine
CID 144060408

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-methylcyclohex-2-en-1-imine?
The IUPAC name of ethane;4-ethyl-N-methylcyclohex-2-en-1-imine (CID 142053780) is ethane;4-ethyl-N-methylcyclohex-2-en-1-imine.
What is the SMILES notation for ethane;4-ethyl-N-methylcyclohex-2-en-1-imine?
The canonical SMILES for ethane;4-ethyl-N-methylcyclohex-2-en-1-imine is CC.CCC1C=C/C(=N/C)CC1.
What is the InChIKey of ethane;4-ethyl-N-methylcyclohex-2-en-1-imine?
The InChIKey is IZASAXNNABLZLH-KVVVOXFISA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-3-8-4-6-9(10-2)7-5-8;1-2/h4,6,8H,3,5,7H2,1-2H3;1-2H3/b10-9-;.
What are the key properties of ethane;4-ethyl-N-methylcyclohex-2-en-1-imine?
ethane;4-ethyl-N-methylcyclohex-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 142053780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).