2-methoxy-2,7,7-trimethyloctan-4-amine

C12H27NO — CID 103025201

IUPAC2-methoxy-2,7,7-trimethyloctan-4-amine
SMILESCOC(C)(C)CC(N)CCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)8-7-10(13)9-12(4,5)14-6/h10H,7-9,13H2,1-6H3
InChIKeySKYFRYYBCQWNOB-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds5

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

2-methoxy-2,7,7-trimethyloctan-4-amine (PubChem CID 103025201) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-methoxy-2,7,7-trimethyloctan-4-amine.

Molecular Properties

Compound Name2-methoxy-2,7,7-trimethyloctan-4-amine
PubChem CID103025201
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-methoxy-2,7,7-trimethyloctan-4-amine
SMILESCOC(C)(C)CC(N)CCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)8-7-10(13)9-12(4,5)14-6/h10H,7-9,13H2,1-6H3
InChIKeySKYFRYYBCQWNOB-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyloxan-4-amine
CID 64105126
8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-amine
CID 103028746
10-Ethoxy-9,9-dimethyldecan-1-amine
CID 3085386
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-methyldodecan-4-amine
CID 103025056
2-methoxy-N,2-dimethyldodecan-4-amine
CID 103025057
2-Methoxy-2-methylnonan-4-amine
CID 103025060

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,7,7-trimethyloctan-4-amine?
The IUPAC name of 2-methoxy-2,7,7-trimethyloctan-4-amine (CID 103025201) is 2-methoxy-2,7,7-trimethyloctan-4-amine.
What is the SMILES notation for 2-methoxy-2,7,7-trimethyloctan-4-amine?
The canonical SMILES for 2-methoxy-2,7,7-trimethyloctan-4-amine is COC(C)(C)CC(N)CCC(C)(C)C.
What is the InChIKey of 2-methoxy-2,7,7-trimethyloctan-4-amine?
The InChIKey is SKYFRYYBCQWNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2,3)8-7-10(13)9-12(4,5)14-6/h10H,7-9,13H2,1-6H3.
What are the key properties of 2-methoxy-2,7,7-trimethyloctan-4-amine?
2-methoxy-2,7,7-trimethyloctan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 5 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-trimethyloctan-4-amine is sourced from PubChem (CID 103025201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).