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

C15H33NO — CID 103034549

IUPAC7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine
SMILESCCCNC(CCCC(C)(C)OC)C(C)(C)C
InChIInChI=1S/C15H33NO/c1-8-12-16-13(14(2,3)4)10-9-11-15(5,6)17-7/h13,16H,8-12H2,1-7H3
InChIKeyMBBLLHGVYIWEOV-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds8

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

7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine (PubChem CID 103034549) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine.

Molecular Properties

Compound Name7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine
PubChem CID103034549
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine
SMILESCCCNC(CCCC(C)(C)OC)C(C)(C)C
InChIInChI=1S/C15H33NO/c1-8-12-16-13(14(2,3)4)10-9-11-15(5,6)17-7/h13,16H,8-12H2,1-7H3
InChIKeyMBBLLHGVYIWEOV-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine?
The IUPAC name of 7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine (CID 103034549) is 7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine.
What is the SMILES notation for 7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine?
The canonical SMILES for 7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine is CCCNC(CCCC(C)(C)OC)C(C)(C)C.
What is the InChIKey of 7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine?
The InChIKey is MBBLLHGVYIWEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-12-16-13(14(2,3)4)10-9-11-15(5,6)17-7/h13,16H,8-12H2,1-7H3.
What are the key properties of 7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine?
7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine is sourced from PubChem (CID 103034549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).