3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine

C17H37NO2 — CID 103036085

IUPAC3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)(C)OC)C(OCC)C(C)(C)C
InChIInChI=1S/C17H37NO2/c1-9-13-18-14(11-12-17(6,7)19-8)15(20-10-2)16(3,4)5/h14-15,18H,9-13H2,1-8H3
InChIKeyYLEXGYHVWMXGTL-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.01
Rot. Bonds10

About 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine

3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine (PubChem CID 103036085) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
PubChem CID103036085
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)(C)OC)C(OCC)C(C)(C)C
InChIInChI=1S/C17H37NO2/c1-9-13-18-14(11-12-17(6,7)19-8)15(20-10-2)16(3,4)5/h14-15,18H,9-13H2,1-8H3
InChIKeyYLEXGYHVWMXGTL-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine
CID 116725935
5-methoxy-2,5-dimethyl-N-propylhexan-3-amine
CID 103024809
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
(3-ethoxy-7-methoxy-7-methyloctan-4-yl)hydrazine
CID 103027073
1-ethylsulfonyl-5-methoxy-6,6-dimethyl-N-propylheptan-4-amine
CID 116725019
1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
CID 103031290
5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine
CID 116726030
3-methoxy-2,2,7-trimethyl-N-propyloct-7-en-4-amine
CID 114476002
3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116726057
1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 106676429
2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine
CID 103035812

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine?
The IUPAC name of 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine (CID 103036085) is 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine.
What is the SMILES notation for 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine?
The canonical SMILES for 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine is CCCNC(CCC(C)(C)OC)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine?
The InChIKey is YLEXGYHVWMXGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-9-13-18-14(11-12-17(6,7)19-8)15(20-10-2)16(3,4)5/h14-15,18H,9-13H2,1-8H3.
What are the key properties of 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine?
3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine has a molecular weight of 287.49 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine is sourced from PubChem (CID 103036085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).