N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine

C13H23N — CID 123833497

IUPACN-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine
SMILESCC/N=C1/C=CC(CCC(C)C)CC1
InChIInChI=1S/C13H23N/c1-4-14-13-9-7-12(8-10-13)6-5-11(2)3/h7,9,11-12H,4-6,8,10H2,1-3H3/b14-13-
InChIKeyFYOLFTZZOPIIAP-YPKPFQOOSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds4

About N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine

N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine (PubChem CID 123833497) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine
PubChem CID123833497
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine
SMILESCC/N=C1/C=CC(CCC(C)C)CC1
InChIInChI=1S/C13H23N/c1-4-14-13-9-7-12(8-10-13)6-5-11(2)3/h7,9,11-12H,4-6,8,10H2,1-3H3/b14-13-
InChIKeyFYOLFTZZOPIIAP-YPKPFQOOSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
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

CID 6445873
CID 6445873
(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
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
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine?
The IUPAC name of N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine (CID 123833497) is N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine.
What is the SMILES notation for N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine?
The canonical SMILES for N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine is CC/N=C1/C=CC(CCC(C)C)CC1.
What is the InChIKey of N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine?
The InChIKey is FYOLFTZZOPIIAP-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H23N/c1-4-14-13-9-7-12(8-10-13)6-5-11(2)3/h7,9,11-12H,4-6,8,10H2,1-3H3/b14-13-.
What are the key properties of N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine?
N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123833497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).