N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine

C15H31NO3 — CID 103036115

IUPACN-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(OC)CCOCC1
InChIInChI=1S/C15H31NO3/c1-6-16-13(7-8-14(2,3)17-4)15(18-5)9-11-19-12-10-15/h13,16H,6-12H2,1-5H3
InChIKeyRTBOOEINLPIDFN-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.37
Rot. Bonds8

About N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine

N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine (PubChem CID 103036115) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine
PubChem CID103036115
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(OC)CCOCC1
InChIInChI=1S/C15H31NO3/c1-6-16-13(7-8-14(2,3)17-4)15(18-5)9-11-19-12-10-15/h13,16H,6-12H2,1-5H3
InChIKeyRTBOOEINLPIDFN-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 103036116
N-ethyl-4-methoxy-1-(1-methoxy-4-methylcyclohexyl)-4-methylpentan-1-amine
CID 103036122
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
CID 116765070
N-ethyl-4-ethylsulfonyl-1-(4-methoxyoxan-4-yl)butan-1-amine
CID 116764968
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103036117
1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765110
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764901
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
CID 116765010
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116765085

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine (CID 103036115) is N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)C1(OC)CCOCC1.
What is the InChIKey of N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine?
The InChIKey is RTBOOEINLPIDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-6-16-13(7-8-14(2,3)17-4)15(18-5)9-11-19-12-10-15/h13,16H,6-12H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine?
N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 103036115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).