[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol

C13H27NO2 — CID 62552501

IUPAC[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCCOC(C)C)CC1
InChIInChI=1S/C13H27NO2/c1-11(2)16-9-8-14-13(10-15)6-4-12(3)5-7-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyJHYNNHYJHIKIDJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds6

About [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol

[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol (PubChem CID 62552501) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol
PubChem CID62552501
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCCOC(C)C)CC1
InChIInChI=1S/C13H27NO2/c1-11(2)16-9-8-14-13(10-15)6-4-12(3)5-7-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyJHYNNHYJHIKIDJ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol (CID 62552501) is [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol is CC1CCC(CO)(NCCOC(C)C)CC1.
What is the InChIKey of [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol?
The InChIKey is JHYNNHYJHIKIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)16-9-8-14-13(10-15)6-4-12(3)5-7-13/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol?
[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62552501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).