4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one

C14H27NO — CID 66455311

IUPAC4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one
SMILESCCN(CC(C)(C)C(C)=O)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-5-15(11-14(3,4)12(2)16)13-9-7-6-8-10-13/h13H,5-11H2,1-4H3
InChIKeyGKEBIDMPLZFAIG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds5

About 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one

4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 66455311) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one
PubChem CID66455311
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one
SMILESCCN(CC(C)(C)C(C)=O)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-5-15(11-14(3,4)12(2)16)13-9-7-6-8-10-13/h13H,5-11H2,1-4H3
InChIKeyGKEBIDMPLZFAIG-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one
CID 66453368
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248233
N,N-diethylcycloundecanamine
CID 163828609
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63906996
N-(tert-butylcarbamoyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 34619301
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64797121
tert-butyl 2-[cyclopentyl(ethyl)amino]acetate
CID 137320187
3-[cyclopentyl(ethyl)amino]-2-methyl-2-(methylamino)propan-1-ol
CID 64797688
N-cyclohexyl-N,N',2,2-tetraethylpropane-1,3-diamine
CID 63482848
N-(2,2-dimethylpropyl)-N-ethylcyclopropanamine
CID 67816379

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one (CID 66455311) is 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one is CCN(CC(C)(C)C(C)=O)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is GKEBIDMPLZFAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-15(11-14(3,4)12(2)16)13-9-7-6-8-10-13/h13H,5-11H2,1-4H3.
What are the key properties of 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one?
4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 66455311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).