N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide

C23H48N6O2 — CID 72568812

IUPACN-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide
SMILESNCCCNCCCCNCCCNC(=O)C(N)CCCCNC(=O)C1CCCCC1
InChIInChI=1S/C23H48N6O2/c24-13-8-16-26-14-6-7-15-27-17-9-19-29-23(31)21(25)12-4-5-18-28-22(30)20-10-2-1-3-11-20/h20-21,26-27H,1-19,24-25H2,(H,28,30)(H,29,31)
InChIKeyKDMOAYQNJPOLRC-UHFFFAOYSA-N
MW440.68 g/mol
LogP1.00
Rot. Bonds19

About N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide

N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide (PubChem CID 72568812) has the molecular formula C23H48N6O2 and a molecular weight of 440.68 g/mol. Its IUPAC name is N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide
PubChem CID72568812
Molecular FormulaC23H48N6O2
Molecular Weight440.68 g/mol
Exact Mass440.38
IUPAC NameN-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide
SMILESNCCCNCCCCNCCCNC(=O)C(N)CCCCNC(=O)C1CCCCC1
InChIInChI=1S/C23H48N6O2/c24-13-8-16-26-14-6-7-15-27-17-9-19-29-23(31)21(25)12-4-5-18-28-22(30)20-10-2-1-3-11-20/h20-21,26-27H,1-19,24-25H2,(H,28,30)(H,29,31)
InChIKeyKDMOAYQNJPOLRC-UHFFFAOYSA-N
XLogP1.00
TPSA134.30 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.68
LogP ≤ 51.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]cyclohexanecarboxamide
CID 58260226
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
CID 88877305
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide
CID 59104625
6-[1-(2-adamantyl)ethylamino]-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 72625961

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide (CID 72568812) is N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide is NCCCNCCCCNCCCNC(=O)C(N)CCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide?
The InChIKey is KDMOAYQNJPOLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N6O2/c24-13-8-16-26-14-6-7-15-27-17-9-19-29-23(31)21(25)12-4-5-18-28-22(30)20-10-2-1-3-11-20/h20-21,26-27H,1-19,24-25H2,(H,28,30)(H,29,31).
What are the key properties of N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide?
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide has a molecular weight of 440.68 g/mol, XLogP of 1.00, 19 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide is sourced from PubChem (CID 72568812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).