3-[2-aminoethyl(3-aminopropyl)amino]propanal

C8H19N3O — CID 89024868

IUPAC3-[2-aminoethyl(3-aminopropyl)amino]propanal
SMILESNCCCN(CCN)CCC=O
InChIInChI=1S/C8H19N3O/c9-3-1-5-11(7-4-10)6-2-8-12/h8H,1-7,9-10H2
InChIKeyFZUXWVHQKDSCCG-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.82
Rot. Bonds8

About 3-[2-aminoethyl(3-aminopropyl)amino]propanal

3-[2-aminoethyl(3-aminopropyl)amino]propanal (PubChem CID 89024868) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[2-aminoethyl(3-aminopropyl)amino]propanal.

Molecular Properties

Compound Name3-[2-aminoethyl(3-aminopropyl)amino]propanal
PubChem CID89024868
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-[2-aminoethyl(3-aminopropyl)amino]propanal
SMILESNCCCN(CCN)CCC=O
InChIInChI=1S/C8H19N3O/c9-3-1-5-11(7-4-10)6-2-8-12/h8H,1-7,9-10H2
InChIKeyFZUXWVHQKDSCCG-UHFFFAOYSA-N
XLogP-0.82
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(3-oxopropyl)amino]propanal
CID 89031167
4-aminobutanal;ethane
CID 91518862
N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
CID 158129365
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide
CID 148765600
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
CID 170557636
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
butanal;N,N-dibutylbutan-1-amine
CID 174791584

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(3-aminopropyl)amino]propanal?
The IUPAC name of 3-[2-aminoethyl(3-aminopropyl)amino]propanal (CID 89024868) is 3-[2-aminoethyl(3-aminopropyl)amino]propanal.
What is the SMILES notation for 3-[2-aminoethyl(3-aminopropyl)amino]propanal?
The canonical SMILES for 3-[2-aminoethyl(3-aminopropyl)amino]propanal is NCCCN(CCN)CCC=O.
What is the InChIKey of 3-[2-aminoethyl(3-aminopropyl)amino]propanal?
The InChIKey is FZUXWVHQKDSCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c9-3-1-5-11(7-4-10)6-2-8-12/h8H,1-7,9-10H2.
What are the key properties of 3-[2-aminoethyl(3-aminopropyl)amino]propanal?
3-[2-aminoethyl(3-aminopropyl)amino]propanal has a molecular weight of 173.26 g/mol, XLogP of -0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(3-aminopropyl)amino]propanal is sourced from PubChem (CID 89024868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).