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

C19H37NO — CID 22972943

IUPAC2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one
SMILESCC1(C)CCCC(CC(NC(C)(C)C)C(=O)C(C)(C)C)C1
InChIInChI=1S/C19H37NO/c1-17(2,3)16(21)15(20-18(4,5)6)12-14-10-9-11-19(7,8)13-14/h14-15,20H,9-13H2,1-8H3
InChIKeyZIQRECATPXSZCC-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.96
Rot. Bonds4

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

2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one (PubChem CID 22972943) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one
PubChem CID22972943
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one
SMILESCC1(C)CCCC(CC(NC(C)(C)C)C(=O)C(C)(C)C)C1
InChIInChI=1S/C19H37NO/c1-17(2,3)16(21)15(20-18(4,5)6)12-14-10-9-11-19(7,8)13-14/h14-15,20H,9-13H2,1-8H3
InChIKeyZIQRECATPXSZCC-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one (CID 22972943) is 2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one is CC1(C)CCCC(CC(NC(C)(C)C)C(=O)C(C)(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one?
The InChIKey is ZIQRECATPXSZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-17(2,3)16(21)15(20-18(4,5)6)12-14-10-9-11-19(7,8)13-14/h14-15,20H,9-13H2,1-8H3.
What are the key properties of 2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one?
2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one has a molecular weight of 295.51 g/mol, XLogP of 4.96, 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-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 22972943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).