ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine

C12H25NS — CID 154694584

IUPACethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine
SMILESCC.CSCCNC1CC=C(C)CC1
InChIInChI=1S/C10H19NS.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12-2;1-2/h3,10-11H,4-8H2,1-2H3;1-2H3
InChIKeyUQKYSNXWAMIROG-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.46
Rot. Bonds4

About ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine

ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine (PubChem CID 154694584) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Nameethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine
PubChem CID154694584
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Nameethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine
SMILESCC.CSCCNC1CC=C(C)CC1
InChIInChI=1S/C10H19NS.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12-2;1-2/h3,10-11H,4-8H2,1-2H3;1-2H3
InChIKeyUQKYSNXWAMIROG-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 5289266
S-Azabisabolene
CID 5289326
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N-[2-(cyclohexen-1-yl)ethyl]propan-2-amine
CID 20811752
N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine
CID 29040034
N-ethyl-4-methylcyclohex-3-en-1-amine
CID 69933513
4-methyl-N-propylcyclohex-3-en-1-amine
CID 69934599
N-butyl-4-methylcyclohex-3-en-1-amine
CID 85564919
(2S)-3-methylidene-2-(2-methylsulfanylethyl)piperidine
CID 89180058
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
(3S)-N-ethyl-4-methylidene-1-methylsulfanylheptan-3-amine
CID 89354545

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine?
The IUPAC name of ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine (CID 154694584) is ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine?
The canonical SMILES for ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine is CC.CSCCNC1CC=C(C)CC1.
What is the InChIKey of ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine?
The InChIKey is UQKYSNXWAMIROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12-2;1-2/h3,10-11H,4-8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine?
ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 154694584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).