4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine

C13H27NO2 — CID 104625195

IUPAC4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine
SMILESCOCCC(C)(C)CNCC1CCCOC1
InChIInChI=1S/C13H27NO2/c1-13(2,6-8-15-3)11-14-9-12-5-4-7-16-10-12/h12,14H,4-11H2,1-3H3
InChIKeyFJKQEOSKMGWIQS-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.07
Rot. Bonds7

About 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine

4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine (PubChem CID 104625195) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine
PubChem CID104625195
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine
SMILESCOCCC(C)(C)CNCC1CCCOC1
InChIInChI=1S/C13H27NO2/c1-13(2,6-8-15-3)11-14-9-12-5-4-7-16-10-12/h12,14H,4-11H2,1-3H3
InChIKeyFJKQEOSKMGWIQS-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63737020
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
2,2-dimethyl-3-(oxan-3-ylmethylamino)propanenitrile
CID 104587296
N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 103529191
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
CID 63740219
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
tert-butyl 3-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]piperidine-1-carboxylate
CID 104625113
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine?
The IUPAC name of 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine (CID 104625195) is 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine?
The canonical SMILES for 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine is COCCC(C)(C)CNCC1CCCOC1.
What is the InChIKey of 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine?
The InChIKey is FJKQEOSKMGWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,6-8-15-3)11-14-9-12-5-4-7-16-10-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine?
4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 104625195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).