4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine

C13H27NO2 — CID 103025141

IUPAC4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine
SMILESCNC(CC1CCOCC1)CC(C)(C)OC
InChIInChI=1S/C13H27NO2/c1-13(2,15-4)10-12(14-3)9-11-5-7-16-8-6-11/h11-12,14H,5-10H2,1-4H3
InChIKeyGPGNPADWPVCXNG-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds6

About 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine

4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine (PubChem CID 103025141) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine
PubChem CID103025141
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine
SMILESCNC(CC1CCOCC1)CC(C)(C)OC
InChIInChI=1S/C13H27NO2/c1-13(2,15-4)10-12(14-3)9-11-5-7-16-8-6-11/h11-12,14H,5-10H2,1-4H3
InChIKeyGPGNPADWPVCXNG-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine with MolForge

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Related Compounds

4-Methyl-3-(pyrrolidin-2-yl)oxan-4-ol
CID 119031215
2-methoxy-N,2,6-trimethyloctan-4-amine
CID 103025135
2-methoxy-2,6-dimethyl-N-propyloctan-4-amine
CID 103025138
3-methoxy-N,3-dimethyl-1-(oxan-4-yl)butan-1-amine
CID 103027181
N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yl)butan-1-amine
CID 103027183
N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 103028542
3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
CID 103028543
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028561
3-methoxy-N,3-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 103028604
N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 103028606
3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 103028610
N-ethyl-3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 103028611

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine?
The IUPAC name of 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine (CID 103025141) is 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine?
The canonical SMILES for 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine is CNC(CC1CCOCC1)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine?
The InChIKey is GPGNPADWPVCXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,15-4)10-12(14-3)9-11-5-7-16-8-6-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine?
4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine is sourced from PubChem (CID 103025141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).