4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one

C18H29NOS — CID 62703961

IUPAC4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(Cc2cccs2)C(C)C)C1
InChIInChI=1S/C18H29NOS/c1-13(2)15-7-8-18(20)16(10-15)11-19(14(3)4)12-17-6-5-9-21-17/h5-6,9,13-16H,7-8,10-12H2,1-4H3
InChIKeyQMYQKXPUPLZDNY-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.60
Rot. Bonds6

About 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one

4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62703961) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
PubChem CID62703961
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(Cc2cccs2)C(C)C)C1
InChIInChI=1S/C18H29NOS/c1-13(2)15-7-8-18(20)16(10-15)11-19(14(3)4)12-17-6-5-9-21-17/h5-6,9,13-16H,7-8,10-12H2,1-4H3
InChIKeyQMYQKXPUPLZDNY-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774381
2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 79489426
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612562
2-[[methyl(thiolan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704880
4-methyl-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-one
CID 62614034
2-[(N-ethyl-4-methylanilino)methyl]-4-propan-2-ylcyclohexan-1-one
CID 63483008
2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one
CID 79912577
2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 63400278
N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558541
N-methyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 55094707
4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774196

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one (CID 62703961) is 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one is CC(C)C1CCC(=O)C(CN(Cc2cccs2)C(C)C)C1.
What is the InChIKey of 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is QMYQKXPUPLZDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-13(2)15-7-8-18(20)16(10-15)11-19(14(3)4)12-17-6-5-9-21-17/h5-6,9,13-16H,7-8,10-12H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one?
4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 307.50 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62703961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).