N-(3-aminocyclobutyl)cyclobutanecarboxamide

C9H16N2O — CID 43594903

IUPACN-(3-aminocyclobutyl)cyclobutanecarboxamide
SMILESNC1CC(NC(=O)C2CCC2)C1
InChIInChI=1S/C9H16N2O/c10-7-4-8(5-7)11-9(12)6-2-1-3-6/h6-8H,1-5,10H2,(H,11,12)
InChIKeyKCFGFEYCQNCOMY-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.39
Rot. Bonds2

About N-(3-aminocyclobutyl)cyclobutanecarboxamide

N-(3-aminocyclobutyl)cyclobutanecarboxamide (PubChem CID 43594903) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)cyclobutanecarboxamide
PubChem CID43594903
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(3-aminocyclobutyl)cyclobutanecarboxamide
SMILESNC1CC(NC(=O)C2CCC2)C1
InChIInChI=1S/C9H16N2O/c10-7-4-8(5-7)11-9(12)6-2-1-3-6/h6-8H,1-5,10H2,(H,11,12)
InChIKeyKCFGFEYCQNCOMY-UHFFFAOYSA-N
XLogP0.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)cyclobutanecarboxamide?
The IUPAC name of N-(3-aminocyclobutyl)cyclobutanecarboxamide (CID 43594903) is N-(3-aminocyclobutyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)cyclobutanecarboxamide is NC1CC(NC(=O)C2CCC2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)cyclobutanecarboxamide?
The InChIKey is KCFGFEYCQNCOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c10-7-4-8(5-7)11-9(12)6-2-1-3-6/h6-8H,1-5,10H2,(H,11,12).
What are the key properties of N-(3-aminocyclobutyl)cyclobutanecarboxamide?
N-(3-aminocyclobutyl)cyclobutanecarboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)cyclobutanecarboxamide is sourced from PubChem (CID 43594903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).