6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide

C20H41N5O3 — CID 58105394

IUPAC6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide
SMILESCNC(=O)CCCCCNCCCCCN(CCC(=O)NC)CCC(=O)NC
InChIInChI=1S/C20H41N5O3/c1-21-18(26)10-6-4-7-13-24-14-8-5-9-15-25(16-11-19(27)22-2)17-12-20(28)23-3/h24H,4-17H2,1-3H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyOMLSGHFEHIVGRY-UHFFFAOYSA-N
MW399.58 g/mol
LogP0.63
Rot. Bonds18

About 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide

6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide (PubChem CID 58105394) has the molecular formula C20H41N5O3 and a molecular weight of 399.58 g/mol. Its IUPAC name is 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide.

Molecular Properties

Compound Name6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide
PubChem CID58105394
Molecular FormulaC20H41N5O3
Molecular Weight399.58 g/mol
Exact Mass399.32
IUPAC Name6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide
SMILESCNC(=O)CCCCCNCCCCCN(CCC(=O)NC)CCC(=O)NC
InChIInChI=1S/C20H41N5O3/c1-21-18(26)10-6-4-7-13-24-14-8-5-9-15-25(16-11-19(27)22-2)17-12-20(28)23-3/h24H,4-17H2,1-3H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyOMLSGHFEHIVGRY-UHFFFAOYSA-N
XLogP0.63
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105591
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-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
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
N,N'-dimethylheptanediamide
CID 15166696
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
6-(dimethylamino)-N-methylhexanamide
CID 58019688
N-methyl-11-(methylamino)undecanamide
CID 59809097
4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
CID 63890540
3-(dipropylamino)-N-methylpropanamide
CID 90814262
3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide
CID 160695132
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570

Frequently Asked Questions

What is the IUPAC name of 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide?
The IUPAC name of 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide (CID 58105394) is 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide.
What is the SMILES notation for 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide?
The canonical SMILES for 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide is CNC(=O)CCCCCNCCCCCN(CCC(=O)NC)CCC(=O)NC.
What is the InChIKey of 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide?
The InChIKey is OMLSGHFEHIVGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O3/c1-21-18(26)10-6-4-7-13-24-14-8-5-9-15-25(16-11-19(27)22-2)17-12-20(28)23-3/h24H,4-17H2,1-3H3,(H,21,26)(H,22,27)(H,23,28).
What are the key properties of 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide?
6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide has a molecular weight of 399.58 g/mol, XLogP of 0.63, 18 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide is sourced from PubChem (CID 58105394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).