3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine

C12H23NO — CID 167310674

IUPAC3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine
SMILESCC1CC(CCCNC2(C)COC2)C1
InChIInChI=1S/C12H23NO/c1-10-6-11(7-10)4-3-5-13-12(2)8-14-9-12/h10-11,13H,3-9H2,1-2H3
InChIKeyZZKRNYFWVZNGNA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine

3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine (PubChem CID 167310674) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine
PubChem CID167310674
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine
SMILESCC1CC(CCCNC2(C)COC2)C1
InChIInChI=1S/C12H23NO/c1-10-6-11(7-10)4-3-5-13-12(2)8-14-9-12/h10-11,13H,3-9H2,1-2H3
InChIKeyZZKRNYFWVZNGNA-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine?
The IUPAC name of 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine (CID 167310674) is 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine.
What is the SMILES notation for 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine?
The canonical SMILES for 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine is CC1CC(CCCNC2(C)COC2)C1.
What is the InChIKey of 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine?
The InChIKey is ZZKRNYFWVZNGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-6-11(7-10)4-3-5-13-12(2)8-14-9-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine?
3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine is sourced from PubChem (CID 167310674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).