N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine

C12H27NO — CID 103034557

IUPACN-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
SMILESCCNC(C)C(C)CCC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-7-13-11(3)10(2)8-9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyKNZVKEWMACSAAB-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds7

About N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine

N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine (PubChem CID 103034557) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
PubChem CID103034557
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
SMILESCCNC(C)C(C)CCC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-7-13-11(3)10(2)8-9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyKNZVKEWMACSAAB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-7-methoxy-2,2,7-trimethyloctan-4-amine
CID 103031647
6-bromo-2-methoxy-2,5-dimethylheptane
CID 103036506
N-ethyl-5-methoxy-3-methylpentan-2-amine
CID 60995312
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031120
1-cyclobutyl-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032134
N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
CID 103029407
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 106675441
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
CID 103025252
1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
CID 106727166

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine?
The IUPAC name of N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine (CID 103034557) is N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine.
What is the SMILES notation for N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine?
The canonical SMILES for N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine is CCNC(C)C(C)CCC(C)(C)OC.
What is the InChIKey of N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine?
The InChIKey is KNZVKEWMACSAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-13-11(3)10(2)8-9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine?
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine is sourced from PubChem (CID 103034557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).