2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide

C22H48N6O2 — CID 4011235

IUPAC2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
SMILESNCCCCC(N)C(=O)NCCCCCCCCCCNC(=O)C(N)CCCCN
InChIInChI=1S/C22H48N6O2/c23-15-9-7-13-19(25)21(29)27-17-11-5-3-1-2-4-6-12-18-28-22(30)20(26)14-8-10-16-24/h19-20H,1-18,23-26H2,(H,27,29)(H,28,30)
InChIKeyXXVHKYDTGOLUEB-UHFFFAOYSA-N
MW428.67 g/mol
LogP1.25
Rot. Bonds21

About 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide

2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide (PubChem CID 4011235) has the molecular formula C22H48N6O2 and a molecular weight of 428.67 g/mol. Its IUPAC name is 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide.

Molecular Properties

Compound Name2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
PubChem CID4011235
Molecular FormulaC22H48N6O2
Molecular Weight428.67 g/mol
Exact Mass428.38
IUPAC Name2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
SMILESNCCCCC(N)C(=O)NCCCCCCCCCCNC(=O)C(N)CCCCN
InChIInChI=1S/C22H48N6O2/c23-15-9-7-13-19(25)21(29)27-17-11-5-3-1-2-4-6-12-18-28-22(30)20(26)14-8-10-16-24/h19-20H,1-18,23-26H2,(H,27,29)(H,28,30)
InChIKeyXXVHKYDTGOLUEB-UHFFFAOYSA-N
XLogP1.25
TPSA162.28 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.67
LogP ≤ 51.25
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-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
(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
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
(2S)-2,6-diamino-N-[(5S)-6-[[(5S)-6-[[(5S)-6-[5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentylamino]-5-[[(2S)-6-[[(2S)-2,6-bis[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]-6-(2,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-5-[[(2S)-2,6-bis[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-5-[[(2S)-2,6-diaminohexanoyl]amino]-6-oxohexyl]hexanamide
CID 88869320
(2S)-2-amino-6-[[(2S,9S)-2,9,13-triamino-8-oxotridecanoyl]amino]hexanoic acid
CID 58195957
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
2,6-diamino-N-[5-amino-6-[4-[[2-amino-6-(2,6-diaminohexanoylamino)hexanoyl]amino]anilino]-6-oxohexyl]hexanamide
CID 58984407
2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide
CID 143981855

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide?
The IUPAC name of 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide (CID 4011235) is 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide.
What is the SMILES notation for 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide?
The canonical SMILES for 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide is NCCCCC(N)C(=O)NCCCCCCCCCCNC(=O)C(N)CCCCN.
What is the InChIKey of 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide?
The InChIKey is XXVHKYDTGOLUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N6O2/c23-15-9-7-13-19(25)21(29)27-17-11-5-3-1-2-4-6-12-18-28-22(30)20(26)14-8-10-16-24/h19-20H,1-18,23-26H2,(H,27,29)(H,28,30).
What are the key properties of 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide?
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide has a molecular weight of 428.67 g/mol, XLogP of 1.25, 21 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide is sourced from PubChem (CID 4011235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).