3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide

C15H33N5O2 — CID 58105591

IUPAC3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCCN(CCCCCN)CCC(=O)NC
InChIInChI=1S/C15H33N5O2/c1-17-14(21)6-9-19-10-13-20(11-5-3-4-8-16)12-7-15(22)18-2/h19H,3-13,16H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyMLTSSJXKRDSUJR-UHFFFAOYSA-N
MW315.46 g/mol
LogP-0.72
Rot. Bonds14

About 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide

3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide (PubChem CID 58105591) has the molecular formula C15H33N5O2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
PubChem CID58105591
Molecular FormulaC15H33N5O2
Molecular Weight315.46 g/mol
Exact Mass315.26
IUPAC Name3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCCN(CCCCCN)CCC(=O)NC
InChIInChI=1S/C15H33N5O2/c1-17-14(21)6-9-19-10-13-20(11-5-3-4-8-16)12-7-15(22)18-2/h19H,3-13,16H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyMLTSSJXKRDSUJR-UHFFFAOYSA-N
XLogP-0.72
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide
CID 58105394
3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide
CID 123789929
N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
CID 162227177
3-[2-[2-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(methylamino)-3-oxopropyl]amino]ethyl-(3-oxobutyl)amino]-N-methylpropanamide
CID 118011724
3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
CID 106914832
3-[2-[2-[2-aminoethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]-N-methylpropanamide
CID 88673589
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide
CID 167153611
3-[3-aminopropyl(2-methoxyethyl)amino]-N-methylpropanamide
CID 63287350
3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide
CID 71362529
3-[2-aminoethyl(2-hydroxyethyl)amino]-N-methylpropanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]ethyl]amino]propanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-(2-hydroxyethylamino)ethyl]amino]propanamide;N-dodecyl-6-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]hexanamide;N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 123694229
3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
CID 160990447

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide?
The IUPAC name of 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide (CID 58105591) is 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide?
The canonical SMILES for 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide is CNC(=O)CCNCCN(CCCCCN)CCC(=O)NC.
What is the InChIKey of 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide?
The InChIKey is MLTSSJXKRDSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O2/c1-17-14(21)6-9-19-10-13-20(11-5-3-4-8-16)12-7-15(22)18-2/h19H,3-13,16H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide?
3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide has a molecular weight of 315.46 g/mol, XLogP of -0.72, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide is sourced from PubChem (CID 58105591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).