5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine

C13H27NO2 — CID 103036024

IUPAC5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine
SMILESCNC(CCC(C)(C)OC)CC1CCOC1
InChIInChI=1S/C13H27NO2/c1-13(2,15-4)7-5-12(14-3)9-11-6-8-16-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeySDLHPFUBRGVMFA-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds7

About 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine

5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine (PubChem CID 103036024) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine
PubChem CID103036024
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine
SMILESCNC(CCC(C)(C)OC)CC1CCOC1
InChIInChI=1S/C13H27NO2/c1-13(2,15-4)7-5-12(14-3)9-11-6-8-16-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeySDLHPFUBRGVMFA-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine?
The IUPAC name of 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine (CID 103036024) is 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine.
What is the SMILES notation for 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine?
The canonical SMILES for 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine is CNC(CCC(C)(C)OC)CC1CCOC1.
What is the InChIKey of 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine?
The InChIKey is SDLHPFUBRGVMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,15-4)7-5-12(14-3)9-11-6-8-16-10-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine?
5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,5-dimethyl-1-(oxolan-3-yl)hexan-2-amine is sourced from PubChem (CID 103036024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).