3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide

C14H28N2O2 — CID 79653496

IUPAC3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(OCCC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-5-16-14(12(15)17)7-6-11(10-14)18-9-8-13(2,3)4/h11,16H,5-10H2,1-4H3,(H2,15,17)
InChIKeyDDXSAAFGGFIJKR-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds6

About 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide

3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 79653496) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
PubChem CID79653496
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(OCCC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-5-16-14(12(15)17)7-6-11(10-14)18-9-8-13(2,3)4/h11,16H,5-10H2,1-4H3,(H2,15,17)
InChIKeyDDXSAAFGGFIJKR-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563
1-(ethylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79648904
ethyl 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644709
ethyl 1-(ethylamino)-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxylate
CID 82958552
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
CID 79648618
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79637126
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423
3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 106666769
1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
CID 79637274
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclopentane-1-carboxamide
CID 79654280

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide (CID 79653496) is 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(OCCC(C)(C)C)C1.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is DDXSAAFGGFIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-16-14(12(15)17)7-6-11(10-14)18-9-8-13(2,3)4/h11,16H,5-10H2,1-4H3,(H2,15,17).
What are the key properties of 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide?
3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79653496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).