3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal

C10H20N2O2 — CID 21469916

IUPAC3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal
SMILESCN(CCC=O)CCN(C)CCC=O
InChIInChI=1S/C10H20N2O2/c1-11(5-3-9-13)7-8-12(2)6-4-10-14/h9-10H,3-8H2,1-2H3
InChIKeyBNSZIUKRFGANGK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.03
Rot. Bonds9

About 3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal

3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal (PubChem CID 21469916) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal.

Molecular Properties

Compound Name3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal
PubChem CID21469916
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal
SMILESCN(CCC=O)CCN(C)CCC=O
InChIInChI=1S/C10H20N2O2/c1-11(5-3-9-13)7-8-12(2)6-4-10-14/h9-10H,3-8H2,1-2H3
InChIKeyBNSZIUKRFGANGK-UHFFFAOYSA-N
XLogP0.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal?
The IUPAC name of 3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal (CID 21469916) is 3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal.
What is the SMILES notation for 3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal?
The canonical SMILES for 3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal is CN(CCC=O)CCN(C)CCC=O.
What is the InChIKey of 3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal?
The InChIKey is BNSZIUKRFGANGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11(5-3-9-13)7-8-12(2)6-4-10-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal?
3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal has a molecular weight of 200.28 g/mol, XLogP of 0.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal is sourced from PubChem (CID 21469916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).