3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol

C16H31NO4 — CID 106101096

IUPAC3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol
SMILESCC1CCCC(OCC(O)CNCC2(O)CCOC2C)C1
InChIInChI=1S/C16H31NO4/c1-12-4-3-5-15(8-12)21-10-14(18)9-17-11-16(19)6-7-20-13(16)2/h12-15,17-19H,3-11H2,1-2H3
InChIKeyWYVSHOYEBHEVNN-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.07
Rot. Bonds7

About 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol

3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106101096) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol
PubChem CID106101096
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol
SMILESCC1CCCC(OCC(O)CNCC2(O)CCOC2C)C1
InChIInChI=1S/C16H31NO4/c1-12-4-3-5-15(8-12)21-10-14(18)9-17-11-16(19)6-7-20-13(16)2/h12-15,17-19H,3-11H2,1-2H3
InChIKeyWYVSHOYEBHEVNN-UHFFFAOYSA-N
XLogP1.07
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-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-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(3-methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914266
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-[(4-bromothiophen-2-yl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970678
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 106188526
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]methyl]-2-methyloxolan-3-ol
CID 106101190
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132395
1-(2-bicyclo[2.2.1]heptanylmethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63682308

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol (CID 106101096) is 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol is CC1CCCC(OCC(O)CNCC2(O)CCOC2C)C1.
What is the InChIKey of 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is WYVSHOYEBHEVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-12-4-3-5-15(8-12)21-10-14(18)9-17-11-16(19)6-7-20-13(16)2/h12-15,17-19H,3-11H2,1-2H3.
What are the key properties of 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol?
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 301.43 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106101096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).