2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one

C17H33NO — CID 71154728

IUPAC2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one
SMILESCCNC(CC1CC(C)C(C)(C)C(C)C1)C(=O)CC
InChIInChI=1S/C17H33NO/c1-7-16(19)15(18-8-2)11-14-9-12(3)17(5,6)13(4)10-14/h12-15,18H,7-11H2,1-6H3
InChIKeyAMLYZPTVLUYVAU-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.04
Rot. Bonds6

About 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one

2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one (PubChem CID 71154728) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one
PubChem CID71154728
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one
SMILESCCNC(CC1CC(C)C(C)(C)C(C)C1)C(=O)CC
InChIInChI=1S/C17H33NO/c1-7-16(19)15(18-8-2)11-14-9-12(3)17(5,6)13(4)10-14/h12-15,18H,7-11H2,1-6H3
InChIKeyAMLYZPTVLUYVAU-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one?
The IUPAC name of 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one (CID 71154728) is 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one.
What is the SMILES notation for 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one?
The canonical SMILES for 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one is CCNC(CC1CC(C)C(C)(C)C(C)C1)C(=O)CC.
What is the InChIKey of 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one?
The InChIKey is AMLYZPTVLUYVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-7-16(19)15(18-8-2)11-14-9-12(3)17(5,6)13(4)10-14/h12-15,18H,7-11H2,1-6H3.
What are the key properties of 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one?
2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one has a molecular weight of 267.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one is sourced from PubChem (CID 71154728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).