2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol

C12H25NO2 — CID 64810208

IUPAC2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol
SMILESCC1CCCC(OCCC(C)(N)CO)C1
InChIInChI=1S/C12H25NO2/c1-10-4-3-5-11(8-10)15-7-6-12(2,13)9-14/h10-11,14H,3-9,13H2,1-2H3
InChIKeyVVRYYBMGPBSMKO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.68
Rot. Bonds5

About 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol

2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol (PubChem CID 64810208) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol
PubChem CID64810208
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol
SMILESCC1CCCC(OCCC(C)(N)CO)C1
InChIInChI=1S/C12H25NO2/c1-10-4-3-5-11(8-10)15-7-6-12(2,13)9-14/h10-11,14H,3-9,13H2,1-2H3
InChIKeyVVRYYBMGPBSMKO-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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Related Compounds

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CID 81217769
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CID 64815020
3-(3-methylcyclohexyl)oxypropanethioamide
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4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol
CID 106938707
2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79564056
3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
CID 64900085
4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol
CID 64810001
3-[2-(3-methylcyclohexyl)oxyethyl]piperidine
CID 62355843
4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
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CID 90739915

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol (CID 64810208) is 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol is CC1CCCC(OCCC(C)(N)CO)C1.
What is the InChIKey of 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol?
The InChIKey is VVRYYBMGPBSMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-4-3-5-11(8-10)15-7-6-12(2,13)9-14/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol?
2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-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 2-amino-2-methyl-4-(3-methylcyclohexyl)oxybutan-1-ol is sourced from PubChem (CID 64810208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).