3-ethoxy-3-ethyl-N-methylheptan-4-amine

C12H27NO — CID 116759889

IUPAC3-ethoxy-3-ethyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)(CC)OCC
InChIInChI=1S/C12H27NO/c1-6-10-11(13-5)12(7-2,8-3)14-9-4/h11,13H,6-10H2,1-5H3
InChIKeyXDDAIOSXBHNYAD-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds8

About 3-ethoxy-3-ethyl-N-methylheptan-4-amine

3-ethoxy-3-ethyl-N-methylheptan-4-amine (PubChem CID 116759889) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-N-methylheptan-4-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-N-methylheptan-4-amine
PubChem CID116759889
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-ethoxy-3-ethyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)(CC)OCC
InChIInChI=1S/C12H27NO/c1-6-10-11(13-5)12(7-2,8-3)14-9-4/h11,13H,6-10H2,1-5H3
InChIKeyXDDAIOSXBHNYAD-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl((2-((1-methylcyclopentyl)oxy)ethyl))amine
CID 144691590
(2S)-2-(1-Ethyl-1-methoxypropyl)pyrrolidine
CID 10931875
3-ethoxy-8,8,8-trifluoro-N,3-dimethyloctan-4-amine
CID 113561323
5-ethoxy-1,1,1-trifluoro-5-methyl-N-propylheptan-4-amine
CID 113561385
2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine
CID 116726522
2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine
CID 116726559
2-ethoxy-N-ethyl-6,6,6-trifluoro-2-methylhexan-3-amine
CID 116726816
2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine
CID 116727099
1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine
CID 116757656
N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylheptan-4-amine
CID 116757946
1,1,1-trifluoro-5-methoxy-5-methyl-N-propylheptan-4-amine
CID 116758225
5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine
CID 116758803

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-N-methylheptan-4-amine?
The IUPAC name of 3-ethoxy-3-ethyl-N-methylheptan-4-amine (CID 116759889) is 3-ethoxy-3-ethyl-N-methylheptan-4-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-N-methylheptan-4-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-N-methylheptan-4-amine is CCCC(NC)C(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-ethyl-N-methylheptan-4-amine?
The InChIKey is XDDAIOSXBHNYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-10-11(13-5)12(7-2,8-3)14-9-4/h11,13H,6-10H2,1-5H3.
What are the key properties of 3-ethoxy-3-ethyl-N-methylheptan-4-amine?
3-ethoxy-3-ethyl-N-methylheptan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-N-methylheptan-4-amine is sourced from PubChem (CID 116759889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).