(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide

C13H28N4O2 — CID 89285466

IUPAC(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
SMILESCC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C13H28N4O2/c1-10(18)11(15)6-3-5-9-17-13(19)12(16)7-2-4-8-14/h11-12H,2-9,14-16H2,1H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyGCNVQOBGMHSXHO-RYUDHWBXSA-N
MW272.39 g/mol
LogP-0.35
Rot. Bonds11

About (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide

(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide (PubChem CID 89285466) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
PubChem CID89285466
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Name(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
SMILESCC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C13H28N4O2/c1-10(18)11(15)6-3-5-9-17-13(19)12(16)7-2-4-8-14/h11-12H,2-9,14-16H2,1H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyGCNVQOBGMHSXHO-RYUDHWBXSA-N
XLogP-0.35
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.35
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

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)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide
CID 161482186
(2S)-2-amino-6-[[(2S,9S)-2,9,13-triamino-8-oxotridecanoyl]amino]hexanoic acid
CID 58195957
(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
2,6-diamino-N-[5-amino-6-[4-[[2-amino-6-(2,6-diaminohexanoylamino)hexanoyl]amino]anilino]-6-oxohexyl]hexanamide
CID 58984407

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide (CID 89285466) is (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide is CC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide?
The InChIKey is GCNVQOBGMHSXHO-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-10(18)11(15)6-3-5-9-17-13(19)12(16)7-2-4-8-14/h11-12H,2-9,14-16H2,1H3,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide?
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide has a molecular weight of 272.39 g/mol, XLogP of -0.35, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide is sourced from PubChem (CID 89285466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).