2-methoxy-N,2,7,7-tetramethyloctan-4-amine

C13H29NO — CID 103025200

IUPAC2-methoxy-N,2,7,7-tetramethyloctan-4-amine
SMILESCNC(CCC(C)(C)C)CC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-12(2,3)9-8-11(14-6)10-13(4,5)15-7/h11,14H,8-10H2,1-7H3
InChIKeyIBTWQZGFIXCQPH-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds6

About 2-methoxy-N,2,7,7-tetramethyloctan-4-amine

2-methoxy-N,2,7,7-tetramethyloctan-4-amine (PubChem CID 103025200) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-methoxy-N,2,7,7-tetramethyloctan-4-amine.

Molecular Properties

Compound Name2-methoxy-N,2,7,7-tetramethyloctan-4-amine
PubChem CID103025200
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-methoxy-N,2,7,7-tetramethyloctan-4-amine
SMILESCNC(CCC(C)(C)C)CC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-12(2,3)9-8-11(14-6)10-13(4,5)15-7/h11,14H,8-10H2,1-7H3
InChIKeyIBTWQZGFIXCQPH-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine
CID 103028745
N-ethyl-2-methoxy-2-methyltridecan-4-amine
CID 103025039
2-methoxy-2-methyl-N-propyltridecan-4-amine
CID 103025040
2-Methoxy-2-methylundecan-4-amine
CID 103025041
2-methoxy-N,2-dimethylundecan-4-amine
CID 103025042
2-Methoxy-2-methyloctan-4-amine
CID 103025044
2-Methoxy-2-methyldecan-4-amine
CID 103025049
N-ethyl-2-methoxy-2-methyldecan-4-amine
CID 103025050
2-methoxy-N,2,7-trimethyloctan-4-amine
CID 103025053
2-methoxy-2,7-dimethyl-N-propyloctan-4-amine
CID 103025055
2-Methoxy-2-methyldodecan-4-amine
CID 103025056
2-methoxy-N,2-dimethyldodecan-4-amine
CID 103025057

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2,7,7-tetramethyloctan-4-amine?
The IUPAC name of 2-methoxy-N,2,7,7-tetramethyloctan-4-amine (CID 103025200) is 2-methoxy-N,2,7,7-tetramethyloctan-4-amine.
What is the SMILES notation for 2-methoxy-N,2,7,7-tetramethyloctan-4-amine?
The canonical SMILES for 2-methoxy-N,2,7,7-tetramethyloctan-4-amine is CNC(CCC(C)(C)C)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-N,2,7,7-tetramethyloctan-4-amine?
The InChIKey is IBTWQZGFIXCQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-12(2,3)9-8-11(14-6)10-13(4,5)15-7/h11,14H,8-10H2,1-7H3.
What are the key properties of 2-methoxy-N,2,7,7-tetramethyloctan-4-amine?
2-methoxy-N,2,7,7-tetramethyloctan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2,7,7-tetramethyloctan-4-amine is sourced from PubChem (CID 103025200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).