3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol

C16H33NO3 — CID 66004855

IUPAC3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
SMILESCCCCC(CC)COCC(O)CNCC1CC(O)C1
InChIInChI=1S/C16H33NO3/c1-3-5-6-13(4-2)11-20-12-16(19)10-17-9-14-7-15(18)8-14/h13-19H,3-12H2,1-2H3
InChIKeyVPENMZIBZUUFJC-UHFFFAOYSA-N
MW287.44 g/mol
LogP1.94
Rot. Bonds12

About 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol

3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol (PubChem CID 66004855) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
PubChem CID66004855
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
SMILESCCCCC(CC)COCC(O)CNCC1CC(O)C1
InChIInChI=1S/C16H33NO3/c1-3-5-6-13(4-2)11-20-12-16(19)10-17-9-14-7-15(18)8-14/h13-19H,3-12H2,1-2H3
InChIKeyVPENMZIBZUUFJC-UHFFFAOYSA-N
XLogP1.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-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-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039364
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005279
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
CID 88753128
CID 88753128
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
CID 61365174

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol (CID 66004855) is 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol is CCCCC(CC)COCC(O)CNCC1CC(O)C1.
What is the InChIKey of 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is VPENMZIBZUUFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-3-5-6-13(4-2)11-20-12-16(19)10-17-9-14-7-15(18)8-14/h13-19H,3-12H2,1-2H3.
What are the key properties of 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 287.44 g/mol, XLogP of 1.94, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).