3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine

C15H33NO — CID 116761328

IUPAC3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)C)C(CC)(CC)OC
InChIInChI=1S/C15H33NO/c1-7-12-16-14(11-10-13(4)5)15(8-2,9-3)17-6/h13-14,16H,7-12H2,1-6H3
InChIKeyRFWSMOJJCDIKAI-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds10

About 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine

3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine (PubChem CID 116761328) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine
PubChem CID116761328
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)C)C(CC)(CC)OC
InChIInChI=1S/C15H33NO/c1-7-12-16-14(11-10-13(4)5)15(8-2,9-3)17-6/h13-14,16H,7-12H2,1-6H3
InChIKeyRFWSMOJJCDIKAI-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine
CID 116761321
3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116761381
N,3-diethyl-3-methoxytridecan-4-amine
CID 116761089
3-methoxy-3,6-dimethyl-N-propylnonan-4-amine
CID 116758239
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
CID 79198397
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116715914
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine?
The IUPAC name of 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine (CID 116761328) is 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine.
What is the SMILES notation for 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine?
The canonical SMILES for 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine is CCCNC(CCC(C)C)C(CC)(CC)OC.
What is the InChIKey of 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine?
The InChIKey is RFWSMOJJCDIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-7-12-16-14(11-10-13(4)5)15(8-2,9-3)17-6/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine?
3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine is sourced from PubChem (CID 116761328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).