2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol

C14H27NO2 — CID 19810565

IUPAC2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol
SMILESCC1COC(C(O)C(N)CC2CCCCC2)C1
InChIInChI=1S/C14H27NO2/c1-10-7-13(17-9-10)14(16)12(15)8-11-5-3-2-4-6-11/h10-14,16H,2-9,15H2,1H3
InChIKeyGSSSKOUJIUOXHL-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.07
Rot. Bonds4

About 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol

2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol (PubChem CID 19810565) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol
PubChem CID19810565
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol
SMILESCC1COC(C(O)C(N)CC2CCCCC2)C1
InChIInChI=1S/C14H27NO2/c1-10-7-13(17-9-10)14(16)12(15)8-11-5-3-2-4-6-11/h10-14,16H,2-9,15H2,1H3
InChIKeyGSSSKOUJIUOXHL-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol?
The IUPAC name of 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol (CID 19810565) is 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol is CC1COC(C(O)C(N)CC2CCCCC2)C1.
What is the InChIKey of 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol?
The InChIKey is GSSSKOUJIUOXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10-7-13(17-9-10)14(16)12(15)8-11-5-3-2-4-6-11/h10-14,16H,2-9,15H2,1H3.
What are the key properties of 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol?
2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-1-(4-methyloxolan-2-yl)propan-1-ol is sourced from PubChem (CID 19810565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).