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

C13H29NO — CID 103034552

IUPAC7-methoxy-7-methyl-N-propyloctan-3-amine
SMILESCCCNC(CC)CCCC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-6-11-14-12(7-2)9-8-10-13(3,4)15-5/h12,14H,6-11H2,1-5H3
InChIKeyUJVWMJZXKOBLBT-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds9

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

7-methoxy-7-methyl-N-propyloctan-3-amine (PubChem CID 103034552) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 7-methoxy-7-methyl-N-propyloctan-3-amine.

Molecular Properties

Compound Name7-methoxy-7-methyl-N-propyloctan-3-amine
PubChem CID103034552
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name7-methoxy-7-methyl-N-propyloctan-3-amine
SMILESCCCNC(CC)CCCC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-6-11-14-12(7-2)9-8-10-13(3,4)15-5/h12,14H,6-11H2,1-5H3
InChIKeyUJVWMJZXKOBLBT-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-methyl-N-propyloctan-3-amine?
The IUPAC name of 7-methoxy-7-methyl-N-propyloctan-3-amine (CID 103034552) is 7-methoxy-7-methyl-N-propyloctan-3-amine.
What is the SMILES notation for 7-methoxy-7-methyl-N-propyloctan-3-amine?
The canonical SMILES for 7-methoxy-7-methyl-N-propyloctan-3-amine is CCCNC(CC)CCCC(C)(C)OC.
What is the InChIKey of 7-methoxy-7-methyl-N-propyloctan-3-amine?
The InChIKey is UJVWMJZXKOBLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-11-14-12(7-2)9-8-10-13(3,4)15-5/h12,14H,6-11H2,1-5H3.
What are the key properties of 7-methoxy-7-methyl-N-propyloctan-3-amine?
7-methoxy-7-methyl-N-propyloctan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-methyl-N-propyloctan-3-amine is sourced from PubChem (CID 103034552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).