1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one

C15H29NO — CID 71154495

IUPAC1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one
SMILESCCNC(CC1CCC(C)(C)CC1)C(=O)CC
InChIInChI=1S/C15H29NO/c1-5-14(17)13(16-6-2)11-12-7-9-15(3,4)10-8-12/h12-13,16H,5-11H2,1-4H3
InChIKeyLOZQEIUPGGBMNH-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds6

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

1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one (PubChem CID 71154495) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one
PubChem CID71154495
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one
SMILESCCNC(CC1CCC(C)(C)CC1)C(=O)CC
InChIInChI=1S/C15H29NO/c1-5-14(17)13(16-6-2)11-12-7-9-15(3,4)10-8-12/h12-13,16H,5-11H2,1-4H3
InChIKeyLOZQEIUPGGBMNH-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one
CID 71154625
2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one
CID 71154728
ethyl 4-[2-(ethylamino)-3-oxopentyl]piperidine-1-carboxylate
CID 71154690
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637
(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one
CID 71037152
4-(ethylamino)hexan-3-one
CID 91533412
1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane
CID 177156080
N-[(4,4-dimethylcyclohexyl)methyl]propanamide
CID 130164605
2-(ethylamino)-1-ethylsulfonylpentan-3-one
CID 89317453
methyl 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propanoate
CID 63120085
1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one
CID 177155976
1-cycloheptyl-N-ethyl-3-methylbut-3-en-2-amine
CID 105005423

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one (CID 71154495) is 1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one is CCNC(CC1CCC(C)(C)CC1)C(=O)CC.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one?
The InChIKey is LOZQEIUPGGBMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-14(17)13(16-6-2)11-12-7-9-15(3,4)10-8-12/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one?
1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one has a molecular weight of 239.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one is sourced from PubChem (CID 71154495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).