3-[cyclopropylmethyl(methyl)amino]propanal

C8H15NO — CID 63039587

IUPAC3-[cyclopropylmethyl(methyl)amino]propanal
SMILESCN(CCC=O)CC1CC1
InChIInChI=1S/C8H15NO/c1-9(5-2-6-10)7-8-3-4-8/h6,8H,2-5,7H2,1H3
InChIKeyZRBLTFGRFQMVAJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds5

About 3-[cyclopropylmethyl(methyl)amino]propanal

3-[cyclopropylmethyl(methyl)amino]propanal (PubChem CID 63039587) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]propanal.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]propanal
PubChem CID63039587
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-[cyclopropylmethyl(methyl)amino]propanal
SMILESCN(CCC=O)CC1CC1
InChIInChI=1S/C8H15NO/c1-9(5-2-6-10)7-8-3-4-8/h6,8H,2-5,7H2,1H3
InChIKeyZRBLTFGRFQMVAJ-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
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-[cyclopropylmethyl(methyl)amino]propanal?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]propanal (CID 63039587) is 3-[cyclopropylmethyl(methyl)amino]propanal.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]propanal?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]propanal is CN(CCC=O)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]propanal?
The InChIKey is ZRBLTFGRFQMVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9(5-2-6-10)7-8-3-4-8/h6,8H,2-5,7H2,1H3.
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]propanal?
3-[cyclopropylmethyl(methyl)amino]propanal has a molecular weight of 141.21 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]propanal is sourced from PubChem (CID 63039587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).