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

C13H25NO — CID 66453368

IUPAC4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one
SMILESCCN(CC(C)(C)C(C)=O)C1CCCC1
InChIInChI=1S/C13H25NO/c1-5-14(12-8-6-7-9-12)10-13(3,4)11(2)15/h12H,5-10H2,1-4H3
InChIKeyHPYOSRDISYQLDN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds5

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

4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 66453368) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one
PubChem CID66453368
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one
SMILESCCN(CC(C)(C)C(C)=O)C1CCCC1
InChIInChI=1S/C13H25NO/c1-5-14(12-8-6-7-9-12)10-13(3,4)11(2)15/h12H,5-10H2,1-4H3
InChIKeyHPYOSRDISYQLDN-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one
CID 66455311
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248233
tert-butyl 2-[cyclopentyl(ethyl)amino]acetate
CID 137320187
3-[cyclopentyl(ethyl)amino]-2-methyl-2-(methylamino)propan-1-ol
CID 64797688
N,N-diethylcycloundecanamine
CID 163828609
N-(2,2-dimethylpropyl)-N-ethylcyclopropanamine
CID 67816379
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63906996
N-(tert-butylcarbamoyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 34619301
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302
3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64795747
N,N-diethylcyclobutanamine;ethane
CID 170746144
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one (CID 66453368) is 4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one is CCN(CC(C)(C)C(C)=O)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is HPYOSRDISYQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-14(12-8-6-7-9-12)10-13(3,4)11(2)15/h12H,5-10H2,1-4H3.
What are the key properties of 4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one?
4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 66453368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).