1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol

C13H25NO2 — CID 103838373

IUPAC1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNCC1CC=CCC1
InChIInChI=1S/C13H25NO2/c1-13(15,8-9-16-2)11-14-10-12-6-4-3-5-7-12/h3-4,12,14-15H,5-11H2,1-2H3
InChIKeyGDKWGGICHZAXOO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.72
Rot. Bonds7

About 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol

1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 103838373) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
PubChem CID103838373
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNCC1CC=CCC1
InChIInChI=1S/C13H25NO2/c1-13(15,8-9-16-2)11-14-10-12-6-4-3-5-7-12/h3-4,12,14-15H,5-11H2,1-2H3
InChIKeyGDKWGGICHZAXOO-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohex-3-en-1-ylmethylamino)-2-methylpentan-2-ol
CID 115756802
4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol
CID 107166358
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 106185997
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210
1-cyclohex-3-en-1-yl-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82721137
4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol
CID 114164684
1-[1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
CID 97240054
4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine
CID 104625195
N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine
CID 115713339
methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol (CID 103838373) is 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNCC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is GDKWGGICHZAXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(15,8-9-16-2)11-14-10-12-6-4-3-5-7-12/h3-4,12,14-15H,5-11H2,1-2H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol?
1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 227.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103838373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).