1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine

C18H31NS — CID 63775395

IUPAC1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CCc2cccs2)(CNC)CC1
InChIInChI=1S/C18H31NS/c1-3-4-6-16-8-11-18(12-9-16,15-19-2)13-10-17-7-5-14-20-17/h5,7,14,16,19H,3-4,6,8-13,15H2,1-2H3
InChIKeyHUOFZISAIQEYMG-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.27
Rot. Bonds8

About 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine

1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 63775395) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
PubChem CID63775395
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CCc2cccs2)(CNC)CC1
InChIInChI=1S/C18H31NS/c1-3-4-6-16-8-11-18(12-9-16,15-19-2)13-10-17-7-5-14-20-17/h5,7,14,16,19H,3-4,6,8-13,15H2,1-2H3
InChIKeyHUOFZISAIQEYMG-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine
CID 63773916
4-propyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 63774785
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
1-[1-[(5-bromo-2-pyridinyl)methyl]-4-butylcyclohexyl]-N-methylmethanamine
CID 104810592
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
CID 55196231
1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide
CID 115271547

Frequently Asked Questions

What is the IUPAC name of 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine (CID 63775395) is 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine is CCCCC1CCC(CCc2cccs2)(CNC)CC1.
What is the InChIKey of 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is HUOFZISAIQEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-3-4-6-16-8-11-18(12-9-16,15-19-2)13-10-17-7-5-14-20-17/h5,7,14,16,19H,3-4,6,8-13,15H2,1-2H3.
What are the key properties of 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine?
1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 293.52 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 63775395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).