1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide

C27H53NO — CID 158111629

IUPAC1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(C)(C)CC1.CCC(C)(C)C1CCC(C)(NC(C)=O)CC1
InChIInChI=1S/C14H27NO.C13H26/c1-6-13(3,4)12-7-9-14(5,10-8-12)15-11(2)16;1-6-13(4,5)11-7-9-12(2,3)10-8-11/h12H,6-10H2,1-5H3,(H,15,16);11H,6-10H2,1-5H3
InChIKeyFQMVKLLPNGXLIR-UHFFFAOYSA-N
MW407.73 g/mol
LogP8.15
Rot. Bonds5

About 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide

1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide (PubChem CID 158111629) has the molecular formula C27H53NO and a molecular weight of 407.73 g/mol. Its IUPAC name is 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide
PubChem CID158111629
Molecular FormulaC27H53NO
Molecular Weight407.73 g/mol
Exact Mass407.41
IUPAC Name1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(C)(C)CC1.CCC(C)(C)C1CCC(C)(NC(C)=O)CC1
InChIInChI=1S/C14H27NO.C13H26/c1-6-13(3,4)12-7-9-14(5,10-8-12)15-11(2)16;1-6-13(4,5)11-7-9-12(2,3)10-8-11/h12H,6-10H2,1-5H3,(H,15,16);11H,6-10H2,1-5H3
InChIKeyFQMVKLLPNGXLIR-UHFFFAOYSA-N
XLogP8.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.73
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-Methyl-1-(4-methylcyclohexyl)ethyl)acetamide
CID 379924
N-(1-(4-(Acetylamino)-4-methylcyclohexyl)-1-methylethyl)acetamide
CID 379925
N-(4-propylbicyclo[2.2.2]oct-1-yl)acetamide
CID 775434
N-(p-menth-8-yl)propionamide
CID 92000227
N-(2-cyclohexylpropan-2-yl)acetamide
CID 89770370
3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
CID 146393507
molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
CID 153404877
N-(1-methyl-4-bicyclo[2.2.2]octanyl)acetamide
CID 537645
Propanamide, N-[1-methyl-1-[4-methyl-4-[(1-oxopropyl)amino]cyclohexyl]ethyl]-
CID 547251
2-methyl-N-[1-methyl-4-[2-(2-methylpropanoylamino)propan-2-yl]cyclohexyl]propanamide
CID 14435572
N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide
CID 23388557
N-(1-propan-2-ylcyclohexyl)acetamide
CID 58443473

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The IUPAC name of 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide (CID 158111629) is 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide is CCC(C)(C)C1CCC(C)(C)CC1.CCC(C)(C)C1CCC(C)(NC(C)=O)CC1.
What is the InChIKey of 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The InChIKey is FQMVKLLPNGXLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.C13H26/c1-6-13(3,4)12-7-9-14(5,10-8-12)15-11(2)16;1-6-13(4,5)11-7-9-12(2,3)10-8-11/h12H,6-10H2,1-5H3,(H,15,16);11H,6-10H2,1-5H3.
What are the key properties of 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide has a molecular weight of 407.73 g/mol, XLogP of 8.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-(2-methylbutan-2-yl)cyclohexane;N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 158111629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).