1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol

C14H27NO3 — CID 60633578

IUPAC1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCO1)COC1CCCCC1
InChIInChI=1S/C14H27NO3/c16-12(9-15-10-14-7-4-8-17-14)11-18-13-5-2-1-3-6-13/h12-16H,1-11H2
InChIKeyMCRWOTNEGZKGAY-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.47
Rot. Bonds7

About 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol

1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol (PubChem CID 60633578) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol
PubChem CID60633578
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCO1)COC1CCCCC1
InChIInChI=1S/C14H27NO3/c16-12(9-15-10-14-7-4-8-17-14)11-18-13-5-2-1-3-6-13/h12-16H,1-11H2
InChIKeyMCRWOTNEGZKGAY-UHFFFAOYSA-N
XLogP1.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60634018
1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040454
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-3-cyclopentyloxypropan-2-ol
CID 79079508
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-[3-[dimethyl(2-trimethylsilylethyl)silyl]propoxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 59758711
1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol
CID 60635341
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-(diethylamino)-3-(oxan-2-ylmethylamino)propan-2-ol
CID 55014004

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol (CID 60633578) is 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol is OC(CNCC1CCCO1)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol?
The InChIKey is MCRWOTNEGZKGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c16-12(9-15-10-14-7-4-8-17-14)11-18-13-5-2-1-3-6-13/h12-16H,1-11H2.
What are the key properties of 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol?
1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol has a molecular weight of 257.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(oxolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).