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

C7H15NO4 — CID 15586858

IUPAC5-amino-1-methylcyclohexane-1,2,3,4-tetrol
SMILESCC1(O)CC(N)C(O)C(O)C1O
InChIInChI=1S/C7H15NO4/c1-7(12)2-3(8)4(9)5(10)6(7)11/h3-6,9-12H,2,8H2,1H3
InChIKeyGRMBOCXLNMKQRW-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.45
Rot. Bonds

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 Name5-amino-1-methylcyclohexane-1,2,3,4-tetrol
PubChem CID15586858
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name5-amino-1-methylcyclohexane-1,2,3,4-tetrol
SMILESCC1(O)CC(N)C(O)C(O)C1O
InChIInChI=1S/C7H15NO4/c1-7(12)2-3(8)4(9)5(10)6(7)11/h3-6,9-12H,2,8H2,1H3
InChIKeyGRMBOCXLNMKQRW-UHFFFAOYSA-N
XLogP-2.45
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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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).