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

C13H29NO — CID 79299160

IUPACN-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine
SMILESCCNC(C(C)C)C(C)CC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-8-14-12(10(2)3)11(4)9-13(5,6)15-7/h10-12,14H,8-9H2,1-7H3
InChIKeyVZCYYDBFRVHINJ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds7

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

N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine (PubChem CID 79299160) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine
PubChem CID79299160
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine
SMILESCCNC(C(C)C)C(C)CC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-8-14-12(10(2)3)11(4)9-13(5,6)15-7/h10-12,14H,8-9H2,1-7H3
InChIKeyVZCYYDBFRVHINJ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine?
The IUPAC name of N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine (CID 79299160) is N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine.
What is the SMILES notation for N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine?
The canonical SMILES for N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine is CCNC(C(C)C)C(C)CC(C)(C)OC.
What is the InChIKey of N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine?
The InChIKey is VZCYYDBFRVHINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-8-14-12(10(2)3)11(4)9-13(5,6)15-7/h10-12,14H,8-9H2,1-7H3.
What are the key properties of N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine?
N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 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-2,4,6-trimethylheptan-3-amine is sourced from PubChem (CID 79299160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).