1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol

C13H27NO2 — CID 43166175

IUPAC1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COC1CCCCC1C
InChIInChI=1S/C13H27NO2/c1-10(2)14-8-12(15)9-16-13-7-5-4-6-11(13)3/h10-15H,4-9H2,1-3H3
InChIKeyNXOKEANVWNKDBA-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds6

About 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol

1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43166175) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID43166175
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COC1CCCCC1C
InChIInChI=1S/C13H27NO2/c1-10(2)14-8-12(15)9-16-13-7-5-4-6-11(13)3/h10-15H,4-9H2,1-3H3
InChIKeyNXOKEANVWNKDBA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol (CID 43166175) is 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COC1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is NXOKEANVWNKDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)14-8-12(15)9-16-13-7-5-4-6-11(13)3/h10-15H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol 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 1-(2-methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43166175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).