2-methoxy-2,6-dimethyl-N-propyloctan-4-amine

C14H31NO — CID 103025138

IUPAC2-methoxy-2,6-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(CC(C)CC)CC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-7-9-15-13(10-12(3)8-2)11-14(4,5)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyKBWCJNLQDQGVDT-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds9

About 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine

2-methoxy-2,6-dimethyl-N-propyloctan-4-amine (PubChem CID 103025138) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name2-methoxy-2,6-dimethyl-N-propyloctan-4-amine
PubChem CID103025138
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-methoxy-2,6-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(CC(C)CC)CC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-7-9-15-13(10-12(3)8-2)11-14(4,5)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyKBWCJNLQDQGVDT-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine?
The IUPAC name of 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine (CID 103025138) is 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine.
What is the SMILES notation for 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine?
The canonical SMILES for 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine is CCCNC(CC(C)CC)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine?
The InChIKey is KBWCJNLQDQGVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-9-15-13(10-12(3)8-2)11-14(4,5)16-6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine?
2-methoxy-2,6-dimethyl-N-propyloctan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,6-dimethyl-N-propyloctan-4-amine is sourced from PubChem (CID 103025138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).