3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine

C13H27NO2 — CID 103227873

IUPAC3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
SMILESCOCC(CN)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27NO2/c1-10-5-11(7-13(2,3)6-10)16-12(8-14)9-15-4/h10-12H,5-9,14H2,1-4H3
InChIKeyKGXVGQGCAJRRIU-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.19
Rot. Bonds5

About 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine

3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine (PubChem CID 103227873) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
PubChem CID103227873
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
SMILESCOCC(CN)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27NO2/c1-10-5-11(7-13(2,3)6-10)16-12(8-14)9-15-4/h10-12H,5-9,14H2,1-4H3
InChIKeyKGXVGQGCAJRRIU-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62457350
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2770887
3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
CID 64708543
N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine
CID 83044629
3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide
CID 43368865
2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 55020997
N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine
CID 83044983
2-methoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
CID 62599023
(3,3,5-trimethylcyclohexyl) (2S)-2-amino-3-hydroxypropanoate
CID 61303672
3-(3-bromo-1,4-dichlorobutan-2-yl)oxy-1,1,5-trimethylcyclohexane
CID 114773351
(3,3,5-trimethylcyclohexyl) 2-(aminomethyl)-4,4-dimethylpentanoate
CID 107475315

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
The IUPAC name of 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine (CID 103227873) is 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine is COCC(CN)OC1CC(C)CC(C)(C)C1.
What is the InChIKey of 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
The InChIKey is KGXVGQGCAJRRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10-5-11(7-13(2,3)6-10)16-12(8-14)9-15-4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 103227873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).