3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine

C18H31NS — CID 107428609

IUPAC3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCC(C)(C)c2cccs2)C1
InChIInChI=1S/C18H31NS/c1-14(2)11-15-7-5-8-16(12-15)19-13-18(3,4)17-9-6-10-20-17/h6,9-10,14-16,19H,5,7-8,11-13H2,1-4H3
InChIKeyAYLZCCGBXMMIBJ-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.22
Rot. Bonds6

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

3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (PubChem CID 107428609) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
PubChem CID107428609
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCC(C)(C)c2cccs2)C1
InChIInChI=1S/C18H31NS/c1-14(2)11-15-7-5-8-16(12-15)19-13-18(3,4)17-9-6-10-20-17/h6,9-10,14-16,19H,5,7-8,11-13H2,1-4H3
InChIKeyAYLZCCGBXMMIBJ-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80527427
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107427921
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine
CID 80526351
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
CID 80526251
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
1,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 81344411
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80706060

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (CID 107428609) is 3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(NCC(C)(C)c2cccs2)C1.
What is the InChIKey of 3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The InChIKey is AYLZCCGBXMMIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-14(2)11-15-7-5-8-16(12-15)19-13-18(3,4)17-9-6-10-20-17/h6,9-10,14-16,19H,5,7-8,11-13H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.22, 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-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).