2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide

C11H24N4O2 — CID 123833893

IUPAC2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
SMILESNCCCCC(N)C(=O)NC(C=O)CCCN
InChIInChI=1S/C11H24N4O2/c12-6-2-1-5-10(14)11(17)15-9(8-16)4-3-7-13/h8-10H,1-7,12-14H2,(H,15,17)
InChIKeyNPIVQQOXJQJGHU-UHFFFAOYSA-N
MW244.34 g/mol
LogP-1.13
Rot. Bonds10

About 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide

2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide (PubChem CID 123833893) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide.

Molecular Properties

Compound Name2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
PubChem CID123833893
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
SMILESNCCCCC(N)C(=O)NC(C=O)CCCN
InChIInChI=1S/C11H24N4O2/c12-6-2-1-5-10(14)11(17)15-9(8-16)4-3-7-13/h8-10H,1-7,12-14H2,(H,15,17)
InChIKeyNPIVQQOXJQJGHU-UHFFFAOYSA-N
XLogP-1.13
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide
CID 87430272
(4S)-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
CID 54125890
3-amino-4-[(5-amino-1-oxopentan-2-yl)amino]-4-oxobutanoic acid
CID 123919208
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide
CID 169185476
N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide
CID 18642221
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
(2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide
CID 57179994
(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide
CID 88560908
5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
CID 71340044
(2S)-2-amino-N-[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide
CID 173087350

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide?
The IUPAC name of 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide (CID 123833893) is 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide.
What is the SMILES notation for 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide?
The canonical SMILES for 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide is NCCCCC(N)C(=O)NC(C=O)CCCN.
What is the InChIKey of 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide?
The InChIKey is NPIVQQOXJQJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c12-6-2-1-5-10(14)11(17)15-9(8-16)4-3-7-13/h8-10H,1-7,12-14H2,(H,15,17).
What are the key properties of 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide?
2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide has a molecular weight of 244.34 g/mol, XLogP of -1.13, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide is sourced from PubChem (CID 123833893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).