3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine

C16H27NS — CID 107427921

IUPAC3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCCc2cccs2)C1
InChIInChI=1S/C16H27NS/c1-13(2)11-14-5-3-6-15(12-14)17-9-8-16-7-4-10-18-16/h4,7,10,13-15,17H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyDXNSIUPVKDMHHQ-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.49
Rot. Bonds6

About 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine

3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine (PubChem CID 107427921) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
PubChem CID107427921
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCCc2cccs2)C1
InChIInChI=1S/C16H27NS/c1-13(2)11-14-5-3-6-15(12-14)17-9-8-16-7-4-10-18-16/h4,7,10,13-15,17H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyDXNSIUPVKDMHHQ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 107428609
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428805
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
1,5-dimethyl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 81300569

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine?
The IUPAC name of 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine (CID 107427921) is 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine is CC(C)CC1CCCC(NCCc2cccs2)C1.
What is the InChIKey of 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine?
The InChIKey is DXNSIUPVKDMHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-13(2)11-14-5-3-6-15(12-14)17-9-8-16-7-4-10-18-16/h4,7,10,13-15,17H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine?
3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 107427921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).