3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine

C15H25NS — CID 55194083

IUPAC3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
SMILESCCCC(NC1CCCC(C)C1)c1cccs1
InChIInChI=1S/C15H25NS/c1-3-6-14(15-9-5-10-17-15)16-13-8-4-7-12(2)11-13/h5,9-10,12-14,16H,3-4,6-8,11H2,1-2H3
InChIKeyJHJSVAMFXXMPEA-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.76
Rot. Bonds5

About 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine

3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine (PubChem CID 55194083) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
PubChem CID55194083
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
SMILESCCCC(NC1CCCC(C)C1)c1cccs1
InChIInChI=1S/C15H25NS/c1-3-6-14(15-9-5-10-17-15)16-13-8-4-7-12(2)11-13/h5,9-10,12-14,16H,3-4,6-8,11H2,1-2H3
InChIKeyJHJSVAMFXXMPEA-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.76
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
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224426
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63454457
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898737
3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 63455867
N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853218

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine (CID 55194083) is 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine is CCCC(NC1CCCC(C)C1)c1cccs1.
What is the InChIKey of 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine?
The InChIKey is JHJSVAMFXXMPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-6-14(15-9-5-10-17-15)16-13-8-4-7-12(2)11-13/h5,9-10,12-14,16H,3-4,6-8,11H2,1-2H3.
What are the key properties of 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine?
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 55194083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).