N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine

C15H22F3NS — CID 64754879

IUPACN-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCC(NC1CCC(C(F)(F)F)CC1)c1cccs1
InChIInChI=1S/C15H22F3NS/c1-2-4-13(14-5-3-10-20-14)19-12-8-6-11(7-9-12)15(16,17)18/h3,5,10-13,19H,2,4,6-9H2,1H3
InChIKeyGHIPESBAPGZKEE-UHFFFAOYSA-N
MW305.41 g/mol
LogP5.30
Rot. Bonds5

About N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754879) has the molecular formula C15H22F3NS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754879
Molecular FormulaC15H22F3NS
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC NameN-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCC(NC1CCC(C(F)(F)F)CC1)c1cccs1
InChIInChI=1S/C15H22F3NS/c1-2-4-13(14-5-3-10-20-14)19-12-8-6-11(7-9-12)15(16,17)18/h3,5,10-13,19H,2,4,6-9H2,1H3
InChIKeyGHIPESBAPGZKEE-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63454457
N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 104575012
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898737
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 63455867
4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 28544170
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754879) is N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine is CCCC(NC1CCC(C(F)(F)F)CC1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GHIPESBAPGZKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NS/c1-2-4-13(14-5-3-10-20-14)19-12-8-6-11(7-9-12)15(16,17)18/h3,5,10-13,19H,2,4,6-9H2,1H3.
What are the key properties of N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 305.41 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).