3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide

C11H26N4O — CID 102040289

IUPAC3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)CCN(C)CCCN
InChIInChI=1S/C11H26N4O/c1-13-7-4-8-14-11(16)5-10-15(2)9-3-6-12/h13H,3-10,12H2,1-2H3,(H,14,16)
InChIKeyYIFPWEZVBBYQGU-UHFFFAOYSA-N
MW230.36 g/mol
LogP-0.62
Rot. Bonds10

About 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide

3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide (PubChem CID 102040289) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide
PubChem CID102040289
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)CCN(C)CCCN
InChIInChI=1S/C11H26N4O/c1-13-7-4-8-14-11(16)5-10-15(2)9-3-6-12/h13H,3-10,12H2,1-2H3,(H,14,16)
InChIKeyYIFPWEZVBBYQGU-UHFFFAOYSA-N
XLogP-0.62
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-aminopropyl(methyl)amino]propyl]propanamide
CID 59112854
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide
CID 58105615
3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
CID 106914832
N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
CID 59112836
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
3-[butyl(methyl)amino]-N-pentadecylpropanamide
CID 58040616
N-[3-(methylamino)propyl]butanamide
CID 43600791
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592
3-[butyl(methyl)amino]-N-propylpropanamide
CID 108795247
N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)butanamide
CID 62641683

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide?
The IUPAC name of 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide (CID 102040289) is 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide?
The canonical SMILES for 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide is CNCCCNC(=O)CCN(C)CCCN.
What is the InChIKey of 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide?
The InChIKey is YIFPWEZVBBYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-13-7-4-8-14-11(16)5-10-15(2)9-3-6-12/h13H,3-10,12H2,1-2H3,(H,14,16).
What are the key properties of 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide?
3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide has a molecular weight of 230.36 g/mol, XLogP of -0.62, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide is sourced from PubChem (CID 102040289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).