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

C15H33NO — CID 103025253

IUPAC2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)(C)C)CC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-8-11-16-13(9-10-14(2,3)4)12-15(5,6)17-7/h13,16H,8-12H2,1-7H3
InChIKeyQRFOYXZKQGJRKW-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds8

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

2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine (PubChem CID 103025253) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine
PubChem CID103025253
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(C)(C)C)CC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-8-11-16-13(9-10-14(2,3)4)12-15(5,6)17-7/h13,16H,8-12H2,1-7H3
InChIKeyQRFOYXZKQGJRKW-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 2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine?
The IUPAC name of 2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine (CID 103025253) is 2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine.
What is the SMILES notation for 2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine?
The canonical SMILES for 2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine is CCCNC(CCC(C)(C)C)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine?
The InChIKey is QRFOYXZKQGJRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-11-16-13(9-10-14(2,3)4)12-15(5,6)17-7/h13,16H,8-12H2,1-7H3.
What are the key properties of 2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine?
2-methoxy-2,7,7-trimethyl-N-propyloctan-4-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 2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine is sourced from PubChem (CID 103025253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).