3-[cyclopropylmethyl(propan-2-yl)amino]propanal

C10H19NO — CID 63039968

IUPAC3-[cyclopropylmethyl(propan-2-yl)amino]propanal
SMILESCC(C)N(CCC=O)CC1CC1
InChIInChI=1S/C10H19NO/c1-9(2)11(6-3-7-12)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyAAKMGNQCPBEGSY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds6

About 3-[cyclopropylmethyl(propan-2-yl)amino]propanal

3-[cyclopropylmethyl(propan-2-yl)amino]propanal (PubChem CID 63039968) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propan-2-yl)amino]propanal.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propan-2-yl)amino]propanal
PubChem CID63039968
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[cyclopropylmethyl(propan-2-yl)amino]propanal
SMILESCC(C)N(CCC=O)CC1CC1
InChIInChI=1S/C10H19NO/c1-9(2)11(6-3-7-12)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyAAKMGNQCPBEGSY-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}

Analyze 3-[cyclopropylmethyl(propan-2-yl)amino]propanal 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-[cyclopropylmethyl(propan-2-yl)amino]propanal?
The IUPAC name of 3-[cyclopropylmethyl(propan-2-yl)amino]propanal (CID 63039968) is 3-[cyclopropylmethyl(propan-2-yl)amino]propanal.
What is the SMILES notation for 3-[cyclopropylmethyl(propan-2-yl)amino]propanal?
The canonical SMILES for 3-[cyclopropylmethyl(propan-2-yl)amino]propanal is CC(C)N(CCC=O)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(propan-2-yl)amino]propanal?
The InChIKey is AAKMGNQCPBEGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)11(6-3-7-12)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(propan-2-yl)amino]propanal?
3-[cyclopropylmethyl(propan-2-yl)amino]propanal has a molecular weight of 169.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propan-2-yl)amino]propanal is sourced from PubChem (CID 63039968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).