4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine

C19H33NS — CID 80526485

IUPAC4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCC(C)(C)c2cccs2)CC1
InChIInChI=1S/C19H33NS/c1-6-18(2,3)15-9-11-16(12-10-15)20-14-19(4,5)17-8-7-13-21-17/h7-8,13,15-16,20H,6,9-12,14H2,1-5H3
InChIKeyIPEDYDSOEQSFRU-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.61
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (PubChem CID 80526485) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
PubChem CID80526485
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCC(C)(C)c2cccs2)CC1
InChIInChI=1S/C19H33NS/c1-6-18(2,3)15-9-11-16(12-10-15)20-14-19(4,5)17-8-7-13-21-17/h7-8,13,15-16,20H,6,9-12,14H2,1-5H3
InChIKeyIPEDYDSOEQSFRU-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
CID 80526251
3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80706060
3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80527427
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
CID 80526202
3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 107428609
2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine
CID 66386729

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (CID 80526485) is 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCC(C)(C)c2cccs2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The InChIKey is IPEDYDSOEQSFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-6-18(2,3)15-9-11-16(12-10-15)20-14-19(4,5)17-8-7-13-21-17/h7-8,13,15-16,20H,6,9-12,14H2,1-5H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine has a molecular weight of 307.55 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 80526485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).