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

C16H31N3O — CID 79577274

IUPAC2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN1CCCCCCC1
InChIInChI=1S/C16H31N3O/c1-18-16(15(17)20)10-7-8-14(16)9-13-19-11-5-3-2-4-6-12-19/h14,18H,2-13H2,1H3,(H2,17,20)
InChIKeyBTDWOTNPLBXNBP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.89
Rot. Bonds5

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

2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79577274) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79577274
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN1CCCCCCC1
InChIInChI=1S/C16H31N3O/c1-18-16(15(17)20)10-7-8-14(16)9-13-19-11-5-3-2-4-6-12-19/h14,18H,2-13H2,1H3,(H2,17,20)
InChIKeyBTDWOTNPLBXNBP-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564232
2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564242
2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79578077
2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573690
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106588694
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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 115561490

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 79577274) is 2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCN1CCCCCCC1.
What is the InChIKey of 2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is BTDWOTNPLBXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-18-16(15(17)20)10-7-8-14(16)9-13-19-11-5-3-2-4-6-12-19/h14,18H,2-13H2,1H3,(H2,17,20).
What are the key properties of 2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79577274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).