N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine

C15H25NS — CID 81026774

IUPACN-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
SMILESCc1cc(C2CCCCC2CNC(C)C)cs1
InChIInChI=1S/C15H25NS/c1-11(2)16-9-13-6-4-5-7-15(13)14-8-12(3)17-10-14/h8,10-11,13,15-16H,4-7,9H2,1-3H3
InChIKeyFPOUPFJNDPCKSI-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.33
Rot. Bonds4

About N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine

N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81026774) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
PubChem CID81026774
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
SMILESCc1cc(C2CCCCC2CNC(C)C)cs1
InChIInChI=1S/C15H25NS/c1-11(2)16-9-13-6-4-5-7-15(13)14-8-12(3)17-10-14/h8,10-11,13,15-16H,4-7,9H2,1-3H3
InChIKeyFPOUPFJNDPCKSI-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81028667
N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81032270
N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030590
N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine
CID 81018114
2-(5-methylthiophen-3-yl)cyclohexan-1-amine
CID 65104425
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326
4-(2-chlorocyclohexyl)-2-methylthiophene
CID 65104256
2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81026188
N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine
CID 107514752
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 81018163

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine (CID 81026774) is N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine is Cc1cc(C2CCCCC2CNC(C)C)cs1.
What is the InChIKey of N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is FPOUPFJNDPCKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-11(2)16-9-13-6-4-5-7-15(13)14-8-12(3)17-10-14/h8,10-11,13,15-16H,4-7,9H2,1-3H3.
What are the key properties of N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81026774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).