N-(5-aminopentyl)-N-methylcyclobutanecarboxamide

C11H22N2O — CID 107206716

IUPACN-(5-aminopentyl)-N-methylcyclobutanecarboxamide
SMILESCN(CCCCCN)C(=O)C1CCC1
InChIInChI=1S/C11H22N2O/c1-13(9-4-2-3-8-12)11(14)10-6-5-7-10/h10H,2-9,12H2,1H3
InChIKeyMGJVBTXLFPWETP-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds6

About N-(5-aminopentyl)-N-methylcyclobutanecarboxamide

N-(5-aminopentyl)-N-methylcyclobutanecarboxamide (PubChem CID 107206716) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-methylcyclobutanecarboxamide
PubChem CID107206716
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(5-aminopentyl)-N-methylcyclobutanecarboxamide
SMILESCN(CCCCCN)C(=O)C1CCC1
InChIInChI=1S/C11H22N2O/c1-13(9-4-2-3-8-12)11(14)10-6-5-7-10/h10H,2-9,12H2,1H3
InChIKeyMGJVBTXLFPWETP-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-methylcyclobutanecarboxamide?
The IUPAC name of N-(5-aminopentyl)-N-methylcyclobutanecarboxamide (CID 107206716) is N-(5-aminopentyl)-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-(5-aminopentyl)-N-methylcyclobutanecarboxamide is CN(CCCCCN)C(=O)C1CCC1.
What is the InChIKey of N-(5-aminopentyl)-N-methylcyclobutanecarboxamide?
The InChIKey is MGJVBTXLFPWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13(9-4-2-3-8-12)11(14)10-6-5-7-10/h10H,2-9,12H2,1H3.
What are the key properties of N-(5-aminopentyl)-N-methylcyclobutanecarboxamide?
N-(5-aminopentyl)-N-methylcyclobutanecarboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 107206716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).