6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide

C13H22FN3O — CID 143955319

IUPAC6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide
SMILESCC1(N)C=C(F)C=CC1NC(=O)CCCCCN
InChIInChI=1S/C13H22FN3O/c1-13(16)9-10(14)6-7-11(13)17-12(18)5-3-2-4-8-15/h6-7,9,11H,2-5,8,15-16H2,1H3,(H,17,18)
InChIKeyLPKYQZIJBVZAOA-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.13
Rot. Bonds6

About 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide

6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide (PubChem CID 143955319) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide
PubChem CID143955319
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide
SMILESCC1(N)C=C(F)C=CC1NC(=O)CCCCCN
InChIInChI=1S/C13H22FN3O/c1-13(16)9-10(14)6-7-11(13)17-12(18)5-3-2-4-8-15/h6-7,9,11H,2-5,8,15-16H2,1H3,(H,17,18)
InChIKeyLPKYQZIJBVZAOA-UHFFFAOYSA-N
XLogP1.13
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide?
The IUPAC name of 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide (CID 143955319) is 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide.
What is the SMILES notation for 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide?
The canonical SMILES for 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide is CC1(N)C=C(F)C=CC1NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide?
The InChIKey is LPKYQZIJBVZAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-13(16)9-10(14)6-7-11(13)17-12(18)5-3-2-4-8-15/h6-7,9,11H,2-5,8,15-16H2,1H3,(H,17,18).
What are the key properties of 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide?
6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide has a molecular weight of 255.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide is sourced from PubChem (CID 143955319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).