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

C11H23NO2 — CID 64900085

IUPAC3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
SMILESCC1CCCC(OCC(N)CCO)C1
InChIInChI=1S/C11H23NO2/c1-9-3-2-4-11(7-9)14-8-10(12)5-6-13/h9-11,13H,2-8,12H2,1H3
InChIKeyCSZPCWZNURXMCR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.29
Rot. Bonds5

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

3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol (PubChem CID 64900085) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol.

Molecular Properties

Compound Name3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
PubChem CID64900085
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
SMILESCC1CCCC(OCC(N)CCO)C1
InChIInChI=1S/C11H23NO2/c1-9-3-2-4-11(7-9)14-8-10(12)5-6-13/h9-11,13H,2-8,12H2,1H3
InChIKeyCSZPCWZNURXMCR-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
CID 106159746
methyl 2-bromo-3-(3-methylcyclohexyl)oxypropanoate
CID 81092090
ethane;3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane;hydrate
CID 145159351
4-amino-3-(3-methylcyclohexyl)pentan-1-ol
CID 66090063
3-(3-methylcyclohexyl)oxypropanethioamide
CID 43128270
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
CID 80751175
1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127981
1-(4-methylcyclohexyl)oxypentan-2-amine
CID 62041477
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol?
The IUPAC name of 3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol (CID 64900085) is 3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol.
What is the SMILES notation for 3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol?
The canonical SMILES for 3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol is CC1CCCC(OCC(N)CCO)C1.
What is the InChIKey of 3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol?
The InChIKey is CSZPCWZNURXMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9-3-2-4-11(7-9)14-8-10(12)5-6-13/h9-11,13H,2-8,12H2,1H3.
What are the key properties of 3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol?
3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol is sourced from PubChem (CID 64900085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).