5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine

C12H27NO2 — CID 103036807

IUPAC5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
SMILESCOCCNCC(C)CCC(C)(C)OC
InChIInChI=1S/C12H27NO2/c1-11(10-13-8-9-14-4)6-7-12(2,3)15-5/h11,13H,6-10H2,1-5H3
InChIKeyVAWDLLYDEUCGML-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds9

About 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine

5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine (PubChem CID 103036807) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
PubChem CID103036807
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
SMILESCOCCNCC(C)CCC(C)(C)OC
InChIInChI=1S/C12H27NO2/c1-11(10-13-8-9-14-4)6-7-12(2,3)15-5/h11,13H,6-10H2,1-5H3
InChIKeyVAWDLLYDEUCGML-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 103033354
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 103036937
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
CID 103019805
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
N-(2-methoxyethyl)-N'-(2-methoxy-2-methylpropyl)ethane-1,2-diamine
CID 103019907
6-methoxy-3,6-dimethylheptan-1-amine
CID 103019673
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
CID 103036662
N-(2,2-difluoroethyl)-3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine
CID 167259777

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine?
The IUPAC name of 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine (CID 103036807) is 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine.
What is the SMILES notation for 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine?
The canonical SMILES for 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine is COCCNCC(C)CCC(C)(C)OC.
What is the InChIKey of 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine?
The InChIKey is VAWDLLYDEUCGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-11(10-13-8-9-14-4)6-7-12(2,3)15-5/h11,13H,6-10H2,1-5H3.
What are the key properties of 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine?
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine is sourced from PubChem (CID 103036807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).