4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine

C16H33NO3 — CID 103036116

IUPAC4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(OC)CCOCC1
InChIInChI=1S/C16H33NO3/c1-6-11-17-14(7-8-15(2,3)18-4)16(19-5)9-12-20-13-10-16/h14,17H,6-13H2,1-5H3
InChIKeyQZRSSTMEFYSDID-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.76
Rot. Bonds9

About 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine

4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine (PubChem CID 103036116) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
PubChem CID103036116
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(OC)CCOCC1
InChIInChI=1S/C16H33NO3/c1-6-11-17-14(7-8-15(2,3)18-4)16(19-5)9-12-20-13-10-16/h14,17H,6-13H2,1-5H3
InChIKeyQZRSSTMEFYSDID-UHFFFAOYSA-N
XLogP2.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine
CID 103036115
1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765110
N-ethyl-4-methoxy-1-(1-methoxy-4-methylcyclohexyl)-4-methylpentan-1-amine
CID 103036122
1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
CID 103035868
1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine
CID 116765183
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103036117
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
CID 116765070
4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
CID 116765269
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine (CID 103036116) is 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1(OC)CCOCC1.
What is the InChIKey of 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is QZRSSTMEFYSDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-6-11-17-14(7-8-15(2,3)18-4)16(19-5)9-12-20-13-10-16/h14,17H,6-13H2,1-5H3.
What are the key properties of 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 287.44 g/mol, XLogP of 2.76, 9 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)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103036116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).