2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

C17H33N3O — CID 79573690

IUPAC2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCC1CCCN(CCC2CCCC2(NC)C(N)=O)CC1
InChIInChI=1S/C17H33N3O/c1-3-14-6-5-11-20(12-8-14)13-9-15-7-4-10-17(15,19-2)16(18)21/h14-15,19H,3-13H2,1-2H3,(H2,18,21)
InChIKeyVUADMCRHIMKNMM-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds6

About 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79573690) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79573690
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCC1CCCN(CCC2CCCC2(NC)C(N)=O)CC1
InChIInChI=1S/C17H33N3O/c1-3-14-6-5-11-20(12-8-14)13-9-15-7-4-10-17(15,19-2)16(18)21/h14-15,19H,3-13H2,1-2H3,(H2,18,21)
InChIKeyVUADMCRHIMKNMM-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564232
2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106588694
2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564242
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79578077
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564307
2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 81464092
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79563801
2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564582
2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564522
2-[2-(2-cyclopropylethoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106204227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 79573690) is 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CCC1CCCN(CCC2CCCC2(NC)C(N)=O)CC1.
What is the InChIKey of 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is VUADMCRHIMKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-14-6-5-11-20(12-8-14)13-9-15-7-4-10-17(15,19-2)16(18)21/h14-15,19H,3-13H2,1-2H3,(H2,18,21).
What are the key properties of 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79573690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).