2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide

C16H38N6O — CID 23400695

IUPAC2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
SMILESNCCCCC(N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C16H38N6O/c17-8-2-1-7-15(19)16(23)22-14-6-13-21-11-4-3-10-20-12-5-9-18/h15,20-21H,1-14,17-19H2,(H,22,23)
InChIKeyXTNRHIZWLNLONB-UHFFFAOYSA-N
MW330.52 g/mol
LogP-0.74
Rot. Bonds17

About 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide

2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide (PubChem CID 23400695) has the molecular formula C16H38N6O and a molecular weight of 330.52 g/mol. Its IUPAC name is 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide.

Molecular Properties

Compound Name2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
PubChem CID23400695
Molecular FormulaC16H38N6O
Molecular Weight330.52 g/mol
Exact Mass330.31
IUPAC Name2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
SMILESNCCCCC(N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C16H38N6O/c17-8-2-1-7-15(19)16(23)22-14-6-13-21-11-4-3-10-20-12-5-9-18/h15,20-21H,1-14,17-19H2,(H,22,23)
InChIKeyXTNRHIZWLNLONB-UHFFFAOYSA-N
XLogP-0.74
TPSA131.22 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 5-0.74
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

(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
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
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]-6-(2-methylpropylamino)hexanamide
CID 88877305
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
(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
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide?
The IUPAC name of 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide (CID 23400695) is 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide.
What is the SMILES notation for 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide?
The canonical SMILES for 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide is NCCCCC(N)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide?
The InChIKey is XTNRHIZWLNLONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N6O/c17-8-2-1-7-15(19)16(23)22-14-6-13-21-11-4-3-10-20-12-5-9-18/h15,20-21H,1-14,17-19H2,(H,22,23).
What are the key properties of 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide?
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide has a molecular weight of 330.52 g/mol, XLogP of -0.74, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide is sourced from PubChem (CID 23400695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).