3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde

C9H16N2O — CID 138711698

IUPAC3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde
SMILESCC1(CNC2CC2)CN(C=O)C1
InChIInChI=1S/C9H16N2O/c1-9(4-10-8-2-3-8)5-11(6-9)7-12/h7-8,10H,2-6H2,1H3
InChIKeyBVRKJQSGWOZQTM-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds4

About 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde

3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde (PubChem CID 138711698) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde
PubChem CID138711698
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde
SMILESCC1(CNC2CC2)CN(C=O)C1
InChIInChI=1S/C9H16N2O/c1-9(4-10-8-2-3-8)5-11(6-9)7-12/h7-8,10H,2-6H2,1H3
InChIKeyBVRKJQSGWOZQTM-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde 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-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde?
The IUPAC name of 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde (CID 138711698) is 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde is CC1(CNC2CC2)CN(C=O)C1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde?
The InChIKey is BVRKJQSGWOZQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(4-10-8-2-3-8)5-11(6-9)7-12/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde?
3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde is sourced from PubChem (CID 138711698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).