N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine

C12H27NO — CID 116720182

IUPACN-ethyl-3-methoxy-2,6-dimethylheptan-4-amine
SMILESCCNC(CC(C)C)C(OC)C(C)C
InChIInChI=1S/C12H27NO/c1-7-13-11(8-9(2)3)12(14-6)10(4)5/h9-13H,7-8H2,1-6H3
InChIKeyALJGALIOGWRAQI-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds7

About N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine

N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine (PubChem CID 116720182) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2,6-dimethylheptan-4-amine
PubChem CID116720182
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-ethyl-3-methoxy-2,6-dimethylheptan-4-amine
SMILESCCNC(CC(C)C)C(OC)C(C)C
InChIInChI=1S/C12H27NO/c1-7-13-11(8-9(2)3)12(14-6)10(4)5/h9-13H,7-8H2,1-6H3
InChIKeyALJGALIOGWRAQI-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine?
The IUPAC name of N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine (CID 116720182) is N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine is CCNC(CC(C)C)C(OC)C(C)C.
What is the InChIKey of N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine?
The InChIKey is ALJGALIOGWRAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-13-11(8-9(2)3)12(14-6)10(4)5/h9-13H,7-8H2,1-6H3.
What are the key properties of N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine?
N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 116720182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).