N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine

C13H29NO — CID 107893604

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

About N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine

N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine (PubChem CID 107893604) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
PubChem CID107893604
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
SMILESCCCC(C)C(CC(C)(C)OC)NCC
InChIInChI=1S/C13H29NO/c1-7-9-11(3)12(14-8-2)10-13(4,5)15-6/h11-12,14H,7-10H2,1-6H3
InChIKeyDYRYQDCPUILWBU-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-1,6-dimethoxy-3,6-dimethylheptan-4-amine
CID 103029407
N-ethyl-2-methoxy-2,6-dimethylnonan-4-amine
CID 103025130
N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine
CID 107893649
5-methoxy-2,5-dimethyl-N-propylhexan-3-amine
CID 103024809
N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine
CID 107896897
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557
(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
N-ethyl-2,2,3-trimethylheptan-4-amine
CID 83050802
N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
CID 105024244
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
2-methoxy-N,2-dimethylheptan-4-amine
CID 103024818
4-(chloromethyl)-2-methoxy-2-methylheptane
CID 165445702

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine?
The IUPAC name of N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine (CID 107893604) is N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine?
The canonical SMILES for N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine is CCCC(C)C(CC(C)(C)OC)NCC.
What is the InChIKey of N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine?
The InChIKey is DYRYQDCPUILWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-9-11(3)12(14-8-2)10-13(4,5)15-6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine?
N-ethyl-2-methoxy-2,5-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-2-methoxy-2,5-dimethyloctan-4-amine is sourced from PubChem (CID 107893604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).