N-[3-(methylamino)propyl]cyclobutanecarboxamide

C9H18N2O — CID 43600646

IUPACN-[3-(methylamino)propyl]cyclobutanecarboxamide
SMILESCNCCCNC(=O)C1CCC1
InChIInChI=1S/C9H18N2O/c1-10-6-3-7-11-9(12)8-4-2-5-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyGPXJHCCTEQKWCG-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.51
Rot. Bonds5

About N-[3-(methylamino)propyl]cyclobutanecarboxamide

N-[3-(methylamino)propyl]cyclobutanecarboxamide (PubChem CID 43600646) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]cyclobutanecarboxamide
PubChem CID43600646
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[3-(methylamino)propyl]cyclobutanecarboxamide
SMILESCNCCCNC(=O)C1CCC1
InChIInChI=1S/C9H18N2O/c1-10-6-3-7-11-9(12)8-4-2-5-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyGPXJHCCTEQKWCG-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
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-[3-(methylamino)propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(methylamino)propyl]cyclobutanecarboxamide (CID 43600646) is N-[3-(methylamino)propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]cyclobutanecarboxamide is CNCCCNC(=O)C1CCC1.
What is the InChIKey of N-[3-(methylamino)propyl]cyclobutanecarboxamide?
The InChIKey is GPXJHCCTEQKWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-6-3-7-11-9(12)8-4-2-5-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-[3-(methylamino)propyl]cyclobutanecarboxamide?
N-[3-(methylamino)propyl]cyclobutanecarboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]cyclobutanecarboxamide is sourced from PubChem (CID 43600646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).