1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

C18H29NS — CID 115862831

IUPAC1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCCC1CCCCC1C(NC)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H29NS/c1-3-13-8-4-6-10-15(13)18(19-2)17-12-14-9-5-7-11-16(14)20-17/h12-13,15,18-19H,3-11H2,1-2H3
InChIKeyQPJJTBUIKHJTDM-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.10
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (PubChem CID 115862831) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
PubChem CID115862831
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCCC1CCCCC1C(NC)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H29NS/c1-3-13-8-4-6-10-15(13)18(19-2)17-12-14-9-5-7-11-16(14)20-17/h12-13,15,18-19H,3-11H2,1-2H3
InChIKeyQPJJTBUIKHJTDM-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine with MolForge

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Related Compounds

N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 115862567
1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 104990968
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115778778
1-cyclobutyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049312
N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660
N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 105017490
[(4-ethylcyclohexyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 105312997
2-cyclopropyl-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 104986496
2-[[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 81339392
1-(2,6-dimethyl-4-pyridinyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 107503579
[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105340045
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115847120

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (CID 115862831) is 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is CCC1CCCCC1C(NC)c1cc2c(s1)CCCC2.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is QPJJTBUIKHJTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-3-13-8-4-6-10-15(13)18(19-2)17-12-14-9-5-7-11-16(14)20-17/h12-13,15,18-19H,3-11H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 291.50 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 115862831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).