N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine

C13H29NO — CID 107896897

IUPACN-ethyl-3-methoxy-3,5-dimethyloctan-4-amine
SMILESCCCC(C)C(NCC)C(C)(CC)OC
InChIInChI=1S/C13H29NO/c1-7-10-11(4)12(14-9-3)13(5,8-2)15-6/h11-12,14H,7-10H2,1-6H3
InChIKeyRKTDJKWHQJUPMF-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds8

About N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine

N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine (PubChem CID 107896897) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3,5-dimethyloctan-4-amine
PubChem CID107896897
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethyl-3-methoxy-3,5-dimethyloctan-4-amine
SMILESCCCC(C)C(NCC)C(C)(CC)OC
InChIInChI=1S/C13H29NO/c1-7-10-11(4)12(14-9-3)13(5,8-2)15-6/h11-12,14H,7-10H2,1-6H3
InChIKeyRKTDJKWHQJUPMF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine
CID 107893649
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
3,3,5-trimethyloctan-4-ylhydrazine
CID 107896017
N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 107896656
3-methoxy-3,6-dimethyl-N-propylnonan-4-amine
CID 116758239
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
1,5-dimethoxy-3,5-dimethylheptan-4-ol
CID 116752012
3-methoxy-3-methylpentan-2-amine
CID 116757359
N-ethyl-1-ethylsulfonyl-5-methoxy-5-methylheptan-4-amine
CID 116757969
N-ethyl-2-methoxy-2,6-dimethylnonan-4-amine
CID 103025130
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
3-methoxy-3-methyltetradecan-4-amine
CID 116757437

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine?
The IUPAC name of N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine (CID 107896897) is N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine?
The canonical SMILES for N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine is CCCC(C)C(NCC)C(C)(CC)OC.
What is the InChIKey of N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine?
The InChIKey is RKTDJKWHQJUPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-10-11(4)12(14-9-3)13(5,8-2)15-6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine?
N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine is sourced from PubChem (CID 107896897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).