1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C16H33NO2 — CID 54880949

IUPAC1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCC1CCC(CNCC(O)COC(C)(C)C)CC1
InChIInChI=1S/C16H33NO2/c1-5-13-6-8-14(9-7-13)10-17-11-15(18)12-19-16(2,3)4/h13-15,17-18H,5-12H2,1-4H3
InChIKeySXGLOGDFMUMCRX-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds7

About 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 54880949) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID54880949
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCC1CCC(CNCC(O)COC(C)(C)C)CC1
InChIInChI=1S/C16H33NO2/c1-5-13-6-8-14(9-7-13)10-17-11-15(18)12-19-16(2,3)4/h13-15,17-18H,5-12H2,1-4H3
InChIKeySXGLOGDFMUMCRX-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

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Related Compounds

1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60633651
1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
CID 63931930
1-(2-cyclohexylethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54932851
1-[(2-methylpropan-2-yl)oxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60634018
1-(4-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105103646
3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901066
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741576
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 157185666
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate
CID 60908986
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 54880949) is 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CCC1CCC(CNCC(O)COC(C)(C)C)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is SXGLOGDFMUMCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-13-6-8-14(9-7-13)10-17-11-15(18)12-19-16(2,3)4/h13-15,17-18H,5-12H2,1-4H3.
What are the key properties of 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 54880949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).