1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine

C14H25NS — CID 106657293

IUPAC1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)C1=CCCCC1
InChIInChI=1S/C14H25NS/c1-15-14(13-5-3-2-4-6-13)11-12-7-9-16-10-8-12/h5,12,14-15H,2-4,6-11H2,1H3
InChIKeyOBEXTNUTVNWFFW-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.61
Rot. Bonds4

About 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine

1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine (PubChem CID 106657293) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine
PubChem CID106657293
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)C1=CCCCC1
InChIInChI=1S/C14H25NS/c1-15-14(13-5-3-2-4-6-13)11-12-7-9-16-10-8-12/h5,12,14-15H,2-4,6-11H2,1H3
InChIKeyOBEXTNUTVNWFFW-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
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6-cyclohexyl-6-ethenyl-3-methylsulfanyl-2,3-dihydro-1H-pyridine
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4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)piperidine
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6-[(2,6-Dimethylcyclohexen-1-yl)sulfanylmethyl]piperidine-2-carbothialdehyde
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N-[2-(3-methylsulfanyl-1,2,8,9,10,10a-hexahydrobenzo[8]annulen-7-yl)ethyl]propan-2-amine
CID 123952870
(1S)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016251
(1R)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016252
(1R)-1-[(10S)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016254
4-[amino(cyclobuten-1-yl)methyl]-N-methylthiolan-3-amine
CID 130220826
5-methylidene-N-[1-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropan-2-yl]hept-1-en-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine (CID 106657293) is 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine?
The InChIKey is OBEXTNUTVNWFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-15-14(13-5-3-2-4-6-13)11-12-7-9-16-10-8-12/h5,12,14-15H,2-4,6-11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine?
1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine has a molecular weight of 239.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 106657293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).