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

C12H27NO — CID 107893649

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

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

N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine (PubChem CID 107893649) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2,4-dimethylheptan-3-amine
PubChem CID107893649
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-ethyl-2-methoxy-2,4-dimethylheptan-3-amine
SMILESCCCC(C)C(NCC)C(C)(C)OC
InChIInChI=1S/C12H27NO/c1-7-9-10(3)11(13-8-2)12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyJAGAQZPJMBSRFR-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-3-methoxy-3,5-dimethyloctan-4-amine
CID 107896897
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
2-methoxy-N,2,4-trimethylhexan-3-amine
CID 79443902
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 107896656
2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
CID 79198397
N-ethyl-2-methoxy-2,6-dimethylnonan-4-amine
CID 103025130
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557
2-ethoxy-N-ethyl-4-methylheptan-3-amine
CID 107896506
3,3,5-trimethyloctan-4-ylhydrazine
CID 107896017
N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
CID 105024244
1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
CID 79197921

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine?
The IUPAC name of N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine (CID 107893649) is N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine?
The canonical SMILES for N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine is CCCC(C)C(NCC)C(C)(C)OC.
What is the InChIKey of N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine?
The InChIKey is JAGAQZPJMBSRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-9-10(3)11(13-8-2)12(4,5)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine?
N-ethyl-2-methoxy-2,4-dimethylheptan-3-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-2-methoxy-2,4-dimethylheptan-3-amine is sourced from PubChem (CID 107893649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).