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

C17H29NS — CID 63773916

IUPAC[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(CCc2cccs2)CC1
InChIInChI=1S/C17H29NS/c1-2-3-5-15-7-10-17(14-18,11-8-15)12-9-16-6-4-13-19-16/h4,6,13,15H,2-3,5,7-12,14,18H2,1H3
InChIKeyUMLGHENVWGSIGD-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.01
Rot. Bonds7

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

[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine (PubChem CID 63773916) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is [4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine
PubChem CID63773916
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(CCc2cccs2)CC1
InChIInChI=1S/C17H29NS/c1-2-3-5-15-7-10-17(14-18,11-8-15)12-9-16-6-4-13-19-16/h4,6,13,15H,2-3,5,7-12,14,18H2,1H3
InChIKeyUMLGHENVWGSIGD-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
CID 63775395
4-propyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 63774785
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
2-butylthiophene;methanamine
CID 143080300
4-propyl-1-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65086743
[4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol
CID 66026292
2-(4-cyclohexylbutyl)thiophene
CID 142713613
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372
3-propyl-3-(2-thiophen-2-ylethyl)azetidine
CID 79452456
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
CID 82925896
ethane;2-pentylthiophene
CID 143883800

Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine?
The IUPAC name of [4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine (CID 63773916) is [4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine is CCCCC1CCC(CN)(CCc2cccs2)CC1.
What is the InChIKey of [4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine?
The InChIKey is UMLGHENVWGSIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-2-3-5-15-7-10-17(14-18,11-8-15)12-9-16-6-4-13-19-16/h4,6,13,15H,2-3,5,7-12,14,18H2,1H3.
What are the key properties of [4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine?
[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine has a molecular weight of 279.49 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine is sourced from PubChem (CID 63773916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).