5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine

C14H29NO — CID 116725749

IUPAC5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
SMILESC=C(C)CC(NCC)C(OCC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-15-12(10-11(3)4)13(16-9-2)14(5,6)7/h12-13,15H,3,8-10H2,1-2,4-7H3
InChIKeyCQFJYPVPVQONJJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds7

About 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine

5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine (PubChem CID 116725749) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine.

Molecular Properties

Compound Name5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
PubChem CID116725749
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
SMILESC=C(C)CC(NCC)C(OCC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-15-12(10-11(3)4)13(16-9-2)14(5,6)7/h12-13,15H,3,8-10H2,1-2,4-7H3
InChIKeyCQFJYPVPVQONJJ-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
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

4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
CID 116725715
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725824
(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine
CID 105273739
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
N-ethyl-2,2,5-trimethylhex-5-en-3-amine
CID 79179373
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine
CID 114475977
5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
CID 116721629
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722
N-ethyl-2,5-dimethyloct-1-en-4-amine
CID 105004257

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine?
The IUPAC name of 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine (CID 116725749) is 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine.
What is the SMILES notation for 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine?
The canonical SMILES for 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine is C=C(C)CC(NCC)C(OCC)C(C)(C)C.
What is the InChIKey of 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine?
The InChIKey is CQFJYPVPVQONJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-15-12(10-11(3)4)13(16-9-2)14(5,6)7/h12-13,15H,3,8-10H2,1-2,4-7H3.
What are the key properties of 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine?
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine is sourced from PubChem (CID 116725749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).