2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide

C22H50N6O — CID 23400698

IUPAC2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide
SMILESCC(C)CC(C)NCCCCC(N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C22H50N6O/c1-19(2)18-20(3)27-16-5-4-10-21(24)22(29)28-17-9-15-26-13-7-6-12-25-14-8-11-23/h19-21,25-27H,4-18,23-24H2,1-3H3,(H,28,29)
InChIKeyIMBWYJPYJPAETG-UHFFFAOYSA-N
MW414.68 g/mol
LogP1.32
Rot. Bonds21

About 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide

2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide (PubChem CID 23400698) has the molecular formula C22H50N6O and a molecular weight of 414.68 g/mol. Its IUPAC name is 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide.

Molecular Properties

Compound Name2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide
PubChem CID23400698
Molecular FormulaC22H50N6O
Molecular Weight414.68 g/mol
Exact Mass414.40
IUPAC Name2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide
SMILESCC(C)CC(C)NCCCCC(N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C22H50N6O/c1-19(2)18-20(3)27-16-5-4-10-21(24)22(29)28-17-9-15-26-13-7-6-12-25-14-8-11-23/h19-21,25-27H,4-18,23-24H2,1-3H3,(H,28,29)
InChIKeyIMBWYJPYJPAETG-UHFFFAOYSA-N
XLogP1.32
TPSA117.23 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 51.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide with MolForge

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Related Compounds

Acetylleucyl-leucyl-norleucinal
CID 443118
(R)-N-(5-Amino-6-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-6-oxohexyl)palmitamide
CID 10144565
(S)-N-(5-Amino-6-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-6-oxohexyl)palmitamide
CID 9916009
Lycetamine
CID 10595298
Hexanamide, 2,6-diamino-N-dodecyl-, (S)-
CID 10805166
AC-Leu-val-lys-aldehyde
CID 7408462
Ori-1202
CID 9905576
H-Lys-Leu-Ala-Leu-Lys-Leu-Ala-Leu-Lys-Ala-Leu-Lys-Ala-Ala-Leu-Lys-Leu-Ala-NH2
CID 10464272
(2S)-2,6-diamino-N-tetradecylhexanamide
CID 10664966
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
(2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 44572159
2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide
CID 73345753

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide?
The IUPAC name of 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide (CID 23400698) is 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide.
What is the SMILES notation for 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide?
The canonical SMILES for 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide is CC(C)CC(C)NCCCCC(N)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide?
The InChIKey is IMBWYJPYJPAETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N6O/c1-19(2)18-20(3)27-16-5-4-10-21(24)22(29)28-17-9-15-26-13-7-6-12-25-14-8-11-23/h19-21,25-27H,4-18,23-24H2,1-3H3,(H,28,29).
What are the key properties of 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide?
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide has a molecular weight of 414.68 g/mol, XLogP of 1.32, 21 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(4-methylpentan-2-ylamino)hexanamide is sourced from PubChem (CID 23400698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).