N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide

C13H22N2O — CID 115267769

IUPACN-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide
SMILESNC1CC2CC(NC(=O)C3CCC3)CC2C1
InChIInChI=1S/C13H22N2O/c14-11-4-9-6-12(7-10(9)5-11)15-13(16)8-2-1-3-8/h8-12H,1-7,14H2,(H,15,16)
InChIKeyHBTLWPMVHMDJFS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.42
Rot. Bonds2

About N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide

N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide (PubChem CID 115267769) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide
PubChem CID115267769
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide
SMILESNC1CC2CC(NC(=O)C3CCC3)CC2C1
InChIInChI=1S/C13H22N2O/c14-11-4-9-6-12(7-10(9)5-11)15-13(16)8-2-1-3-8/h8-12H,1-7,14H2,(H,15,16)
InChIKeyHBTLWPMVHMDJFS-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminocyclobutyl)cyclooctanecarboxamide
CID 65023112
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
9-amino-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983734
4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
CID 65472567
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cycloheptylcycloheptanecarboxamide
CID 129091005

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide (CID 115267769) is N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide is NC1CC2CC(NC(=O)C3CCC3)CC2C1.
What is the InChIKey of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide?
The InChIKey is HBTLWPMVHMDJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-11-4-9-6-12(7-10(9)5-11)15-13(16)8-2-1-3-8/h8-12H,1-7,14H2,(H,15,16).
What are the key properties of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide?
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 115267769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).