4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine

C13H27NO3 — CID 116764854

IUPAC4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine
SMILESCNC(C(C)CCOC)C1(OC)CCOCC1
InChIInChI=1S/C13H27NO3/c1-11(5-8-15-3)12(14-2)13(16-4)6-9-17-10-7-13/h11-12,14H,5-10H2,1-4H3
InChIKeyGHBZVIPRCJKSBU-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.44
Rot. Bonds7

About 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine

4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine (PubChem CID 116764854) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine
PubChem CID116764854
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine
SMILESCNC(C(C)CCOC)C1(OC)CCOCC1
InChIInChI=1S/C13H27NO3/c1-11(5-8-15-3)12(14-2)13(16-4)6-9-17-10-7-13/h11-12,14H,5-10H2,1-4H3
InChIKeyGHBZVIPRCJKSBU-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine
CID 116770246
4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
CID 116765269
2-ethyl-1-(4-methoxyoxan-4-yl)-N-methylbutan-1-amine
CID 116764745
1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine
CID 116765183
4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine
CID 116770014
2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764713
4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine
CID 116769240
1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116766531
1-(4-methoxyoxan-4-yl)ethanol
CID 116753835
3-cyclopentyl-1-(4-methoxyoxan-4-yl)-N-methylpropan-1-amine
CID 114192281
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
CID 116765070
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116764616

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine (CID 116764854) is 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine is CNC(C(C)CCOC)C1(OC)CCOCC1.
What is the InChIKey of 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is GHBZVIPRCJKSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-11(5-8-15-3)12(14-2)13(16-4)6-9-17-10-7-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine?
4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116764854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).