3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol

C17H33NO3 — CID 114629568

IUPAC3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCC1CCCCC1OCC(O)CNC1CC(O)C1(C)C
InChIInChI=1S/C17H33NO3/c1-4-12-7-5-6-8-14(12)21-11-13(19)10-18-15-9-16(20)17(15,2)3/h12-16,18-20H,4-11H2,1-3H3
InChIKeyWLGNPDVAIITCDF-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.08
Rot. Bonds7

About 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol

3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114629568) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114629568
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCC1CCCCC1OCC(O)CNC1CC(O)C1(C)C
InChIInChI=1S/C17H33NO3/c1-4-12-7-5-6-8-14(12)21-11-13(19)10-18-15-9-16(20)17(15,2)3/h12-16,18-20H,4-11H2,1-3H3
InChIKeyWLGNPDVAIITCDF-UHFFFAOYSA-N
XLogP2.08
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-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-[(4-Tert-butylcyclohexyl)oxy]-3-(isopropylamino)-2-propanol hydrochloride
CID 2882067
(2S)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 6591527
1-(Cyclohexylamino)-3-[1-methoxy-3-[(1,5,5-trimethylcyclooctyl)methoxy]propan-2-yl]oxypropan-2-ol
CID 123200447
[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-propan-2-ylazanium
CID 2129519
(2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 2129520
[(2S)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-propan-2-ylazanium
CID 6591526
1-(4-Tert-butylcyclohexyl)oxy-3-(cyclopentylamino)propan-2-ol
CID 18838010
1-(2-Ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 43166172
1-(2-Methylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 43166175
1-(1-Cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 54938468
1-(Cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 55067409
1-[[1-(Hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 55082223

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol (CID 114629568) is 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol is CCC1CCCCC1OCC(O)CNC1CC(O)C1(C)C.
What is the InChIKey of 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is WLGNPDVAIITCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-4-12-7-5-6-8-14(12)21-11-13(19)10-18-15-9-16(20)17(15,2)3/h12-16,18-20H,4-11H2,1-3H3.
What are the key properties of 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol?
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 299.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114629568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).