4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine

C12H25NO — CID 116721344

IUPAC4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine
SMILESC=C(C)C(NCC)C(OCC)C(C)C
InChIInChI=1S/C12H25NO/c1-7-13-11(9(3)4)12(10(5)6)14-8-2/h10-13H,3,7-8H2,1-2,4-6H3
InChIKeyUOWGHAUIDLUJOA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds7

About 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine

4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine (PubChem CID 116721344) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine
PubChem CID116721344
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine
SMILESC=C(C)C(NCC)C(OCC)C(C)C
InChIInChI=1S/C12H25NO/c1-7-13-11(9(3)4)12(10(5)6)14-8-2/h10-13H,3,7-8H2,1-2,4-6H3
InChIKeyUOWGHAUIDLUJOA-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine
CID 114475977
N-ethyl-4-methoxy-2-methylpent-1-en-3-amine
CID 79616696
N-ethyl-2,4-dimethylhept-1-en-3-amine
CID 105005538
5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
CID 116721629
(4-ethoxy-2-methylpent-1-en-3-yl)hydrazine
CID 105222983
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
3-ethoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 116721212
1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine
CID 116722432
3-ethoxy-N-ethyl-2,6-dimethylnonan-4-amine
CID 116721431
(4-ethoxy-2-methylhex-1-en-3-yl)hydrazine
CID 105271182
(3R,4R)-4-ethoxy-5-methylhexan-3-ol
CID 59039577
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine?
The IUPAC name of 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine (CID 116721344) is 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine is C=C(C)C(NCC)C(OCC)C(C)C.
What is the InChIKey of 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine?
The InChIKey is UOWGHAUIDLUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-13-11(9(3)4)12(10(5)6)14-8-2/h10-13H,3,7-8H2,1-2,4-6H3.
What are the key properties of 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine?
4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine is sourced from PubChem (CID 116721344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).