5-amino-1-methylcyclohexane-1,2,3,4-tetrol

C₇H₁₅NO₄ — CID 15586858

About 5-amino-1-methylcyclohexane-1,2,3,4-tetrol

5-amino-1-methylcyclohexane-1,2,3,4-tetrol (PubChem CID 15586858) has the molecular formula C₇H₁₅NO₄ and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-amino-1-methylcyclohexane-1,2,3,4-tetrol.

Molecular Properties

• Compound Name: 5-amino-1-methylcyclohexane-1,2,3,4-tetrol
• PubChem CID: 15586858
• Molecular Formula: C₇H₁₅NO₄
• Molecular Weight: 177.20 g/mol
• Exact Mass: 177.10
• IUPAC Name: 5-amino-1-methylcyclohexane-1,2,3,4-tetrol
• SMILES: CC1(O)CC(N)C(O)C(O)C1O
• InChI: InChI=1S/C7H15NO4/c1-7(12)2-3(8)4(9)5(10)6(7)11/h3-6,9-12H,2,8H2,1H3
• InChIKey: GRMBOCXLNMKQRW-UHFFFAOYSA-N
• XLogP: -2.45
• TPSA: 106.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	177.20
LogP ≤ 5	-2.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methylcyclohexane-1,2,3,4-tetrol?

The IUPAC name of 5-amino-1-methylcyclohexane-1,2,3,4-tetrol (CID 15586858) is 5-amino-1-methylcyclohexane-1,2,3,4-tetrol.

What is the SMILES notation for 5-amino-1-methylcyclohexane-1,2,3,4-tetrol?

The canonical SMILES for 5-amino-1-methylcyclohexane-1,2,3,4-tetrol is CC1(O)CC(N)C(O)C(O)C1O.

What is the InChIKey of 5-amino-1-methylcyclohexane-1,2,3,4-tetrol?

The InChIKey is GRMBOCXLNMKQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-7(12)2-3(8)4(9)5(10)6(7)11/h3-6,9-12H,2,8H2,1H3.

What are the key properties of 5-amino-1-methylcyclohexane-1,2,3,4-tetrol?

5-amino-1-methylcyclohexane-1,2,3,4-tetrol has a molecular weight of 177.20 g/mol, XLogP of -2.45, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-methylcyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 15586858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15586858 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.