1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol

C12H25NO2 — CID 2770887

IUPAC1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
SMILESCC1CC(OCC(O)CN)CC(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-9-4-11(6-12(2,3)5-9)15-8-10(14)7-13/h9-11,14H,4-8,13H2,1-3H3
InChIKeyKXHDTRSUOYXLSW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.54
Rot. Bonds4

About 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol

1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol (PubChem CID 2770887) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
PubChem CID2770887
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
SMILESCC1CC(OCC(O)CN)CC(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-9-4-11(6-12(2,3)5-9)15-8-10(14)7-13/h9-11,14H,4-8,13H2,1-3H3
InChIKeyKXHDTRSUOYXLSW-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 3394883
ethyl 4-[(2S)-2-hydroxy-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropyl]piperazine-1-carboxylate
CID 7058801
2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropanethioamide
CID 43368861
(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 124794765
(2R)-1-(4-methylmorpholin-4-ium-4-yl)-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 7689979
(2R)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 2473363
(2S)-1-(4-ethylmorpholin-4-ium-4-yl)-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 7690014
1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 104748909
1-(4-benzylpiperazin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2892075
(2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 7493647
3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103227873
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 1201810

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol (CID 2770887) is 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol is CC1CC(OCC(O)CN)CC(C)(C)C1.
What is the InChIKey of 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
The InChIKey is KXHDTRSUOYXLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9-4-11(6-12(2,3)5-9)15-8-10(14)7-13/h9-11,14H,4-8,13H2,1-3H3.
What are the key properties of 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 2770887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).