2-methoxy-2,7-dimethyloctan-4-amine

C11H25NO — CID 103025052

IUPAC2-methoxy-2,7-dimethyloctan-4-amine
SMILESCOC(C)(C)CC(N)CCC(C)C
InChIInChI=1S/C11H25NO/c1-9(2)6-7-10(12)8-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3
InChIKeyOHSYGCAOTXTFQU-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds6

About 2-methoxy-2,7-dimethyloctan-4-amine

2-methoxy-2,7-dimethyloctan-4-amine (PubChem CID 103025052) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methoxy-2,7-dimethyloctan-4-amine.

Molecular Properties

Compound Name2-methoxy-2,7-dimethyloctan-4-amine
PubChem CID103025052
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methoxy-2,7-dimethyloctan-4-amine
SMILESCOC(C)(C)CC(N)CCC(C)C
InChIInChI=1S/C11H25NO/c1-9(2)6-7-10(12)8-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3
InChIKeyOHSYGCAOTXTFQU-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dimethyloctane-2,4-diamine
CID 57200286
1,1,1-trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
2,8-dimethylnonan-5-amine
CID 15030000
5-methoxy-3,5-dimethylhexan-2-amine
CID 66438289
2,8-dimethyl-2-octoxynonan-4-amine
CID 167249393
1-methoxy-7-methyloctan-4-amine
CID 62603924
6-ethyl-2-methoxy-2-methyldecan-4-amine
CID 103024935
[(2R)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 29014952
1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
CID 103025087
1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024928
1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025092
5-methyl-1-methylsulfanylhexan-2-amine
CID 62693394

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,7-dimethyloctan-4-amine?
The IUPAC name of 2-methoxy-2,7-dimethyloctan-4-amine (CID 103025052) is 2-methoxy-2,7-dimethyloctan-4-amine.
What is the SMILES notation for 2-methoxy-2,7-dimethyloctan-4-amine?
The canonical SMILES for 2-methoxy-2,7-dimethyloctan-4-amine is COC(C)(C)CC(N)CCC(C)C.
What is the InChIKey of 2-methoxy-2,7-dimethyloctan-4-amine?
The InChIKey is OHSYGCAOTXTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)6-7-10(12)8-11(3,4)13-5/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 2-methoxy-2,7-dimethyloctan-4-amine?
2-methoxy-2,7-dimethyloctan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,7-dimethyloctan-4-amine is sourced from PubChem (CID 103025052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).