2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

C18H29NOS — CID 79489426

IUPAC2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(C)C(C)Cc2cccs2)C1
InChIInChI=1S/C18H29NOS/c1-13(2)15-7-8-18(20)16(11-15)12-19(4)14(3)10-17-6-5-9-21-17/h5-6,9,13-16H,7-8,10-12H2,1-4H3
InChIKeyGGVBQIQTBPSBSD-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.25
Rot. Bonds6

About 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 79489426) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID79489426
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(C)C(C)Cc2cccs2)C1
InChIInChI=1S/C18H29NOS/c1-13(2)15-7-8-18(20)16(11-15)12-19(4)14(3)10-17-6-5-9-21-17/h5-6,9,13-16H,7-8,10-12H2,1-4H3
InChIKeyGGVBQIQTBPSBSD-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one with MolForge

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Related Compounds

4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62703961
4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774381
4-methyl-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-one
CID 62614034
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine
CID 79494859
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
2-[(N-ethyl-4-methylanilino)methyl]-4-propan-2-ylcyclohexan-1-one
CID 63483008
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one
CID 79486027
2-[[methyl(thiolan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704880
N,4-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79486822
N,2,2-trimethyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopentan-1-amine
CID 79855579
4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612562
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 79489426) is 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(CN(C)C(C)Cc2cccs2)C1.
What is the InChIKey of 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is GGVBQIQTBPSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-13(2)15-7-8-18(20)16(11-15)12-19(4)14(3)10-17-6-5-9-21-17/h5-6,9,13-16H,7-8,10-12H2,1-4H3.
What are the key properties of 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 307.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 79489426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).