3-[cyclobutylmethyl(methyl)amino]propanal

C9H17NO — CID 63040932

IUPAC3-[cyclobutylmethyl(methyl)amino]propanal
SMILESCN(CCC=O)CC1CCC1
InChIInChI=1S/C9H17NO/c1-10(6-3-7-11)8-9-4-2-5-9/h7,9H,2-6,8H2,1H3
InChIKeyQSZQLFABNBEOAL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds5

About 3-[cyclobutylmethyl(methyl)amino]propanal

3-[cyclobutylmethyl(methyl)amino]propanal (PubChem CID 63040932) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]propanal.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]propanal
PubChem CID63040932
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-[cyclobutylmethyl(methyl)amino]propanal
SMILESCN(CCC=O)CC1CCC1
InChIInChI=1S/C9H17NO/c1-10(6-3-7-11)8-9-4-2-5-9/h7,9H,2-6,8H2,1H3
InChIKeyQSZQLFABNBEOAL-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]propanal?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]propanal (CID 63040932) is 3-[cyclobutylmethyl(methyl)amino]propanal.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]propanal?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]propanal is CN(CCC=O)CC1CCC1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]propanal?
The InChIKey is QSZQLFABNBEOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10(6-3-7-11)8-9-4-2-5-9/h7,9H,2-6,8H2,1H3.
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]propanal?
3-[cyclobutylmethyl(methyl)amino]propanal has a molecular weight of 155.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]propanal is sourced from PubChem (CID 63040932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).