1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

C15H29NO2 — CID 104748913

IUPAC1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCC1CC(OCC(N)C2CCOC2)CC(C)(C)C1
InChIInChI=1S/C15H29NO2/c1-11-6-13(8-15(2,3)7-11)18-10-14(16)12-4-5-17-9-12/h11-14H,4-10,16H2,1-3H3
InChIKeyDWWSAYFJYBIISM-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.58
Rot. Bonds4

About 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (PubChem CID 104748913) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
PubChem CID104748913
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCC1CC(OCC(N)C2CCOC2)CC(C)(C)C1
InChIInChI=1S/C15H29NO2/c1-11-6-13(8-15(2,3)7-11)18-10-14(16)12-4-5-17-9-12/h11-14H,4-10,16H2,1-3H3
InChIKeyDWWSAYFJYBIISM-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2770887
3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine
CID 115714653
(2R)-1-(4-methylmorpholin-4-ium-4-yl)-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 7689979
2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropanethioamide
CID 43368861
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
(2S)-1-(4-ethylmorpholin-4-ium-4-yl)-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 7690014
1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 3394883
N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103074527
1-(oxolan-3-yl)butan-1-amine
CID 63564938

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The IUPAC name of 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (CID 104748913) is 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is CC1CC(OCC(N)C2CCOC2)CC(C)(C)C1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The InChIKey is DWWSAYFJYBIISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11-6-13(8-15(2,3)7-11)18-10-14(16)12-4-5-17-9-12/h11-14H,4-10,16H2,1-3H3.
What are the key properties of 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is sourced from PubChem (CID 104748913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).