N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine

C12H19N — CID 123440293

IUPACN-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine
SMILESCC=CC1=CCC(C)CC1/N=C/C
InChIInChI=1S/C12H19N/c1-4-6-11-8-7-10(3)9-12(11)13-5-2/h4-6,8,10,12H,7,9H2,1-3H3/b6-4?,13-5+
InChIKeyWAJKLLBUCAEQTM-DKGHMGHDSA-N
MW177.29 g/mol
LogP3.38
Rot. Bonds2

About N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine

N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine (PubChem CID 123440293) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine.

Molecular Properties

Compound NameN-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine
PubChem CID123440293
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine
SMILESCC=CC1=CCC(C)CC1/N=C/C
InChIInChI=1S/C12H19N/c1-4-6-11-8-7-10(3)9-12(11)13-5-2/h4-6,8,10,12H,7,9H2,1-3H3/b6-4?,13-5+
InChIKeyWAJKLLBUCAEQTM-DKGHMGHDSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.38
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

4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
2-Cyclopentyl-2,5-dihydropyridine
CID 53805936
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine?
The IUPAC name of N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine (CID 123440293) is N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine.
What is the SMILES notation for N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine?
The canonical SMILES for N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine is CC=CC1=CCC(C)CC1/N=C/C.
What is the InChIKey of N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine?
The InChIKey is WAJKLLBUCAEQTM-DKGHMGHDSA-N. The full InChI is InChI=1S/C12H19N/c1-4-6-11-8-7-10(3)9-12(11)13-5-2/h4-6,8,10,12H,7,9H2,1-3H3/b6-4?,13-5+.
What are the key properties of N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine?
N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine has a molecular weight of 177.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine is sourced from PubChem (CID 123440293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).