1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine

C15H23NS — CID 116661623

IUPAC1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccsc1)CC1=CCCCC1
InChIInChI=1S/C15H23NS/c1-16-15(8-7-14-9-10-17-12-14)11-13-5-3-2-4-6-13/h5,9-10,12,15-16H,2-4,6-8,11H2,1H3
InChIKeyKPKKNYVYBZXDBD-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.16
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine

1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 116661623) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
PubChem CID116661623
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccsc1)CC1=CCCCC1
InChIInChI=1S/C15H23NS/c1-16-15(8-7-14-9-10-17-12-14)11-13-5-3-2-4-6-13/h5,9-10,12,15-16H,2-4,6-8,11H2,1H3
InChIKeyKPKKNYVYBZXDBD-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
CID 116661527
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61078016
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
1-(cyclohexen-1-yl)-N,5-dimethylhex-5-en-2-amine
CID 114475921
1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine
CID 114857021
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115895883
4-cyclohexyl-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61077655
1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 116661499
1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine
CID 107309054
1-(1,1-dioxothiolan-3-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 105147931

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine (CID 116661623) is 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine is CNC(CCc1ccsc1)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is KPKKNYVYBZXDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-16-15(8-7-14-9-10-17-12-14)11-13-5-3-2-4-6-13/h5,9-10,12,15-16H,2-4,6-8,11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine?
1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 4.16, 6 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-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 116661623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).