2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde

C12H28N4O — CID 18978066

IUPAC2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde
SMILESCN(CCCN)CCN(C)CCCNCC=O
InChIInChI=1S/C12H28N4O/c1-15(8-3-5-13)10-11-16(2)9-4-6-14-7-12-17/h12,14H,3-11,13H2,1-2H3
InChIKeyBOZHGDPBRDLSNG-UHFFFAOYSA-N
MW244.38 g/mol
LogP-0.62
Rot. Bonds12

About 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde

2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde (PubChem CID 18978066) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde.

Molecular Properties

Compound Name2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde
PubChem CID18978066
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde
SMILESCN(CCCN)CCN(C)CCCNCC=O
InChIInChI=1S/C12H28N4O/c1-15(8-3-5-13)10-11-16(2)9-4-6-14-7-12-17/h12,14H,3-11,13H2,1-2H3
InChIKeyBOZHGDPBRDLSNG-UHFFFAOYSA-N
XLogP-0.62
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde?
The IUPAC name of 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde (CID 18978066) is 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde.
What is the SMILES notation for 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde?
The canonical SMILES for 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde is CN(CCCN)CCN(C)CCCNCC=O.
What is the InChIKey of 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde?
The InChIKey is BOZHGDPBRDLSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-15(8-3-5-13)10-11-16(2)9-4-6-14-7-12-17/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde?
2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde has a molecular weight of 244.38 g/mol, XLogP of -0.62, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-aminopropyl(methyl)amino]ethyl-methylamino]propylamino]acetaldehyde is sourced from PubChem (CID 18978066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).