1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol

C12H25NO2 — CID 64813147

IUPAC1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol
SMILESCC1CCC(OCCC(C)(O)CN)CC1
InChIInChI=1S/C12H25NO2/c1-10-3-5-11(6-4-10)15-8-7-12(2,14)9-13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyOTKCXXROCSLKQZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.68
Rot. Bonds5

About 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol

1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol (PubChem CID 64813147) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol
PubChem CID64813147
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol
SMILESCC1CCC(OCCC(C)(O)CN)CC1
InChIInChI=1S/C12H25NO2/c1-10-3-5-11(6-4-10)15-8-7-12(2,14)9-13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyOTKCXXROCSLKQZ-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol (CID 64813147) is 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol is CC1CCC(OCCC(C)(O)CN)CC1.
What is the InChIKey of 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol?
The InChIKey is OTKCXXROCSLKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-3-5-11(6-4-10)15-8-7-12(2,14)9-13/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol?
1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-(4-methylcyclohexyl)oxybutan-2-ol is sourced from PubChem (CID 64813147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).