3-[cyclopropylmethyl(propyl)amino]propanal

C10H19NO — CID 63039396

IUPAC3-[cyclopropylmethyl(propyl)amino]propanal
SMILESCCCN(CCC=O)CC1CC1
InChIInChI=1S/C10H19NO/c1-2-6-11(7-3-8-12)9-10-4-5-10/h8,10H,2-7,9H2,1H3
InChIKeyCPILJBOCSQRSOS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds7

About 3-[cyclopropylmethyl(propyl)amino]propanal

3-[cyclopropylmethyl(propyl)amino]propanal (PubChem CID 63039396) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]propanal.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]propanal
PubChem CID63039396
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[cyclopropylmethyl(propyl)amino]propanal
SMILESCCCN(CCC=O)CC1CC1
InChIInChI=1S/C10H19NO/c1-2-6-11(7-3-8-12)9-10-4-5-10/h8,10H,2-7,9H2,1H3
InChIKeyCPILJBOCSQRSOS-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
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(propyl)amino]propanal?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]propanal (CID 63039396) is 3-[cyclopropylmethyl(propyl)amino]propanal.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]propanal?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]propanal is CCCN(CCC=O)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]propanal?
The InChIKey is CPILJBOCSQRSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-6-11(7-3-8-12)9-10-4-5-10/h8,10H,2-7,9H2,1H3.
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]propanal?
3-[cyclopropylmethyl(propyl)amino]propanal has a molecular weight of 169.27 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]propanal is sourced from PubChem (CID 63039396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).