ethanamine;4-(methylsulfanylmethyl)cyclohexene

C10H21NS — CID 145012097

IUPACethanamine;4-(methylsulfanylmethyl)cyclohexene
SMILESCCN.CSCC1CC=CCC1
InChIInChI=1S/C8H14S.C2H7N/c1-9-7-8-5-3-2-4-6-8;1-2-3/h2-3,8H,4-7H2,1H3;2-3H2,1H3
InChIKeyQERSVLPXTAZEQS-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.67
Rot. Bonds2

About ethanamine;4-(methylsulfanylmethyl)cyclohexene

ethanamine;4-(methylsulfanylmethyl)cyclohexene (PubChem CID 145012097) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethanamine;4-(methylsulfanylmethyl)cyclohexene.

Molecular Properties

Compound Nameethanamine;4-(methylsulfanylmethyl)cyclohexene
PubChem CID145012097
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethanamine;4-(methylsulfanylmethyl)cyclohexene
SMILESCCN.CSCC1CC=CCC1
InChIInChI=1S/C8H14S.C2H7N/c1-9-7-8-5-3-2-4-6-8;1-2-3/h2-3,8H,4-7H2,1H3;2-3H2,1H3
InChIKeyQERSVLPXTAZEQS-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethanamine;4-(methylsulfanylmethyl)cyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclohex-3-en-1-ylsulfanylpropan-1-amine
CID 58684239
3-Cyclohex-2-en-1-ylsulfanylpropan-1-amine
CID 58684758
[6-[(Z)-3-(iodomethyl)hept-4-en-2-yl]sulfanylcyclohex-2-en-1-yl]methanamine
CID 68186767
(5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine
CID 89073703
2-[(Z)-2,7-dimethyloct-4-enyl]sulfanylethanamine
CID 89197336
1-(3-Ethyl-2,6-dimethylhept-5-enyl)sulfanylethanamine
CID 118911042
(Z,1R,2S)-2-methyl-1-propan-2-ylsulfanyloct-3-en-1-amine
CID 121264962
3,5-Dimethylnon-6-en-2-ylsulfanylmethanamine
CID 123335153
(Z)-3-ethenylsulfanyl-2-propan-2-ylpent-3-en-1-amine
CID 132123223
(2R)-4-[(E)-6-methylhept-2-enyl]sulfanylbutan-2-amine
CID 134211961
2-(4-Hexan-3-ylcyclohexa-2,4-dien-1-yl)sulfanylethanamine
CID 134316613
(6-Ethyl-4-ethylsulfanylcyclohexa-2,4-dien-1-yl)methanamine
CID 134320290

Frequently Asked Questions

What is the IUPAC name of ethanamine;4-(methylsulfanylmethyl)cyclohexene?
The IUPAC name of ethanamine;4-(methylsulfanylmethyl)cyclohexene (CID 145012097) is ethanamine;4-(methylsulfanylmethyl)cyclohexene.
What is the SMILES notation for ethanamine;4-(methylsulfanylmethyl)cyclohexene?
The canonical SMILES for ethanamine;4-(methylsulfanylmethyl)cyclohexene is CCN.CSCC1CC=CCC1.
What is the InChIKey of ethanamine;4-(methylsulfanylmethyl)cyclohexene?
The InChIKey is QERSVLPXTAZEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S.C2H7N/c1-9-7-8-5-3-2-4-6-8;1-2-3/h2-3,8H,4-7H2,1H3;2-3H2,1H3.
What are the key properties of ethanamine;4-(methylsulfanylmethyl)cyclohexene?
ethanamine;4-(methylsulfanylmethyl)cyclohexene has a molecular weight of 187.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;4-(methylsulfanylmethyl)cyclohexene is sourced from PubChem (CID 145012097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).