2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide

C16H29N3O — CID 79564461

IUPAC2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCN1CCCC2CCCC21
InChIInChI=1S/C16H29N3O/c17-15(20)16(18)9-2-6-13(16)8-11-19-10-3-5-12-4-1-7-14(12)19/h12-14H,1-11,18H2,(H2,17,20)
InChIKeyGZIWRTYZNJNLTI-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide

2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide (PubChem CID 79564461) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide
PubChem CID79564461
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCN1CCCC2CCCC21
InChIInChI=1S/C16H29N3O/c17-15(20)16(18)9-2-6-13(16)8-11-19-10-3-5-12-4-1-7-14(12)19/h12-14H,1-11,18H2,(H2,17,20)
InChIKeyGZIWRTYZNJNLTI-UHFFFAOYSA-N
XLogP1.62
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide with MolForge

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Related Compounds

[1-amino-2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclopentyl]methanol
CID 79571172
1-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79564607
1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide
CID 104968705
1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide
CID 79563996
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine
CID 79570627
1-amino-2-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79563637
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-amine
CID 65320299
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine
CID 65319820
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol
CID 79564703
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol
CID 79564172
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine
CID 79842524
1-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79577598

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide (CID 79564461) is 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide is NC(=O)C1(N)CCCC1CCN1CCCC2CCCC21.
What is the InChIKey of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide?
The InChIKey is GZIWRTYZNJNLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c17-15(20)16(18)9-2-6-13(16)8-11-19-10-3-5-12-4-1-7-14(12)19/h12-14H,1-11,18H2,(H2,17,20).
What are the key properties of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide?
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide is sourced from PubChem (CID 79564461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).