2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one

C18H35NO — CID 20825307

IUPAC2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)NC(CC1CCCC1(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C18H35NO/c1-16(2,3)15(20)14(19-17(4,5)6)12-13-10-9-11-18(13,7)8/h13-14,19H,9-12H2,1-8H3
InChIKeyOVKMIDDRNRRSDK-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.57
Rot. Bonds4

About 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one

2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one (PubChem CID 20825307) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one
PubChem CID20825307
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)NC(CC1CCCC1(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C18H35NO/c1-16(2,3)15(20)14(19-17(4,5)6)12-13-10-9-11-18(13,7)8/h13-14,19H,9-12H2,1-8H3
InChIKeyOVKMIDDRNRRSDK-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopentyl-5-(2,3,4-trimethyl-3-piperidinyl)-3-pentanone
CID 19099559
1-Cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride
CID 19099566
2-(Tert-butylamino)-1-(4,4-diethylcyclohexyl)-4,4-dimethylpentan-3-one
CID 20750254
1-(Tert-butylamino)-1-cyclohexyl-3,3-dimethylbutan-2-one
CID 20750267
4-(Tert-butylamino)-2,2,6-trimethyloctan-3-one
CID 20750290
4-(Tert-butylamino)-2,2-dimethyloctan-3-one
CID 20750297
2-(Tert-butylamino)-4,4-dimethyl-1-(2-methylcyclohexyl)pentan-3-one
CID 20750342
1-(2-Bicyclo[2.2.1]heptanyl)-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 20750353
2-(Tert-butylamino)-4,4-dimethyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-3-one
CID 20750357
4-(Tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one
CID 20750405
2-(Tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one
CID 20825452
2-(Tert-butylamino)-1-(1,1-dimethylpiperidin-1-ium-4-yl)-4,4-dimethylpentan-3-one
CID 21306383

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one (CID 20825307) is 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one is CC(C)(C)NC(CC1CCCC1(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one?
The InChIKey is OVKMIDDRNRRSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-16(2,3)15(20)14(19-17(4,5)6)12-13-10-9-11-18(13,7)8/h13-14,19H,9-12H2,1-8H3.
What are the key properties of 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one?
2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one has a molecular weight of 281.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 20825307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).