1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one

C17H33NO — CID 58256973

IUPAC1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one
SMILESCC1(C)CCC(NC(C)(C)C)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H33NO/c1-14(2,3)13(19)17(18-15(4,5)6)11-9-16(7,8)10-12-17/h18H,9-12H2,1-8H3
InChIKeyVTIQTNWJDNAZJW-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.33
Rot. Bonds2

About 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one

1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one (PubChem CID 58256973) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one
PubChem CID58256973
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one
SMILESCC1(C)CCC(NC(C)(C)C)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H33NO/c1-14(2,3)13(19)17(18-15(4,5)6)11-9-16(7,8)10-12-17/h18H,9-12H2,1-8H3
InChIKeyVTIQTNWJDNAZJW-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(tert-butylamino)oxan-3-yl]-2,2-dimethylpropan-1-one
CID 58256882
1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82236337
1-[4-(2,2-dimethylpropanoyl)-1-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-one
CID 129041054
1-tert-butyl-3-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]urea
CID 65121623
1-(1-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 118667718
1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116598505
N-(1-cyclopropylcyclopropyl)-2,2-dimethylpropanamide
CID 164853878
1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65452446
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035
1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 66190207
1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid
CID 170443189
methyl 1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylate
CID 66191414

Frequently Asked Questions

What is the IUPAC name of 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one (CID 58256973) is 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one is CC1(C)CCC(NC(C)(C)C)(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one?
The InChIKey is VTIQTNWJDNAZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2,3)13(19)17(18-15(4,5)6)11-9-16(7,8)10-12-17/h18H,9-12H2,1-8H3.
What are the key properties of 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one?
1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one has a molecular weight of 267.46 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylamino)-4,4-dimethylcyclohexyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58256973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).