3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol

C12H25NO2 — CID 64898525

IUPAC3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol
SMILESCC(N)C(CO)OC1CCC(C)C(C)C1
InChIInChI=1S/C12H25NO2/c1-8-4-5-11(6-9(8)2)15-12(7-14)10(3)13/h8-12,14H,4-7,13H2,1-3H3
InChIKeyDNMCIWNKHPYWHT-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol

3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol (PubChem CID 64898525) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol
PubChem CID64898525
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol
SMILESCC(N)C(CO)OC1CCC(C)C(C)C1
InChIInChI=1S/C12H25NO2/c1-8-4-5-11(6-9(8)2)15-12(7-14)10(3)13/h8-12,14H,4-7,13H2,1-3H3
InChIKeyDNMCIWNKHPYWHT-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608
(3,4-dimethylcyclohexyl) (2R)-2-amino-4-hydroxybutanoate
CID 107825403
(3,4-dimethylcyclohexyl) (2S)-2-aminopropanoate
CID 64745122
3-amino-2-cyclobutyloxy-4-methylpentan-1-ol
CID 114358246
(3,4-dimethylcyclohexyl) 3-aminobutanoate
CID 64747100
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine
CID 64738125
3-amino-2-(3-ethylcyclohexyl)oxy-5-methylhexan-1-ol
CID 114358302
2-(3,4-dimethylcyclohexyl)oxybutanehydrazide
CID 64739542
2-(3,4-dimethylcyclohexyl)oxy-2-fluoroacetic acid
CID 79357232
2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol
CID 164658390
2-(3-aminocyclopentyl)oxypropan-1-ol
CID 130502869
3-amino-2-cyclobutyloxy-3-cyclopropylpropan-1-ol
CID 114358245

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol?
The IUPAC name of 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol (CID 64898525) is 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol?
The canonical SMILES for 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol is CC(N)C(CO)OC1CCC(C)C(C)C1.
What is the InChIKey of 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol?
The InChIKey is DNMCIWNKHPYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8-4-5-11(6-9(8)2)15-12(7-14)10(3)13/h8-12,14H,4-7,13H2,1-3H3.
What are the key properties of 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol?
3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol is sourced from PubChem (CID 64898525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).