cyclobutanecarbaldehyde;ethane;N-methylmethanamine

C9H21NO — CID 142148678

IUPACcyclobutanecarbaldehyde;ethane;N-methylmethanamine
SMILESCC.CNC.O=CC1CCC1
InChIInChI=1S/C5H8O.C2H7N.C2H6/c6-4-5-2-1-3-5;1-3-2;1-2/h4-5H,1-3H2;3H,1-2H3;1-2H3
InChIKeyPYGQIDCOEYAMTJ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.85
Rot. Bonds1

About cyclobutanecarbaldehyde;ethane;N-methylmethanamine

cyclobutanecarbaldehyde;ethane;N-methylmethanamine (PubChem CID 142148678) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is cyclobutanecarbaldehyde;ethane;N-methylmethanamine.

Molecular Properties

Compound Namecyclobutanecarbaldehyde;ethane;N-methylmethanamine
PubChem CID142148678
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Namecyclobutanecarbaldehyde;ethane;N-methylmethanamine
SMILESCC.CNC.O=CC1CCC1
InChIInChI=1S/C5H8O.C2H7N.C2H6/c6-4-5-2-1-3-5;1-3-2;1-2/h4-5H,1-3H2;3H,1-2H3;1-2H3
InChIKeyPYGQIDCOEYAMTJ-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclobutanecarbaldehyde;ethane;N-methylmethanamine 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 cyclobutanecarbaldehyde;ethane;N-methylmethanamine?
The IUPAC name of cyclobutanecarbaldehyde;ethane;N-methylmethanamine (CID 142148678) is cyclobutanecarbaldehyde;ethane;N-methylmethanamine.
What is the SMILES notation for cyclobutanecarbaldehyde;ethane;N-methylmethanamine?
The canonical SMILES for cyclobutanecarbaldehyde;ethane;N-methylmethanamine is CC.CNC.O=CC1CCC1.
What is the InChIKey of cyclobutanecarbaldehyde;ethane;N-methylmethanamine?
The InChIKey is PYGQIDCOEYAMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C2H7N.C2H6/c6-4-5-2-1-3-5;1-3-2;1-2/h4-5H,1-3H2;3H,1-2H3;1-2H3.
What are the key properties of cyclobutanecarbaldehyde;ethane;N-methylmethanamine?
cyclobutanecarbaldehyde;ethane;N-methylmethanamine has a molecular weight of 159.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanecarbaldehyde;ethane;N-methylmethanamine is sourced from PubChem (CID 142148678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).