2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol

C9H19NO3 — CID 58607711

IUPAC2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol
SMILESCOC1C(CO)CC(C)C(N)C1O
InChIInChI=1S/C9H19NO3/c1-5-3-6(4-11)9(13-2)8(12)7(5)10/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyRWXFYWBXDZLXQQ-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.66
Rot. Bonds2

About 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol

2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol (PubChem CID 58607711) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol
PubChem CID58607711
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol
SMILESCOC1C(CO)CC(C)C(N)C1O
InChIInChI=1S/C9H19NO3/c1-5-3-6(4-11)9(13-2)8(12)7(5)10/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyRWXFYWBXDZLXQQ-UHFFFAOYSA-N
XLogP-0.66
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol?
The IUPAC name of 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol (CID 58607711) is 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol.
What is the SMILES notation for 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol?
The canonical SMILES for 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol is COC1C(CO)CC(C)C(N)C1O.
What is the InChIKey of 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol?
The InChIKey is RWXFYWBXDZLXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-3-6(4-11)9(13-2)8(12)7(5)10/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol?
2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol has a molecular weight of 189.25 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol is sourced from PubChem (CID 58607711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).