3-ethoxy-N,3-diethyloct-7-en-4-amine

C14H29NO — CID 116760221

IUPAC3-ethoxy-N,3-diethyloct-7-en-4-amine
SMILESC=CCCC(NCC)C(CC)(CC)OCC
InChIInChI=1S/C14H29NO/c1-6-11-12-13(15-9-4)14(7-2,8-3)16-10-5/h6,13,15H,1,7-12H2,2-5H3
InChIKeyDCEREURUYFGAEV-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.53
Rot. Bonds10

About 3-ethoxy-N,3-diethyloct-7-en-4-amine

3-ethoxy-N,3-diethyloct-7-en-4-amine (PubChem CID 116760221) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-ethoxy-N,3-diethyloct-7-en-4-amine.

Molecular Properties

Compound Name3-ethoxy-N,3-diethyloct-7-en-4-amine
PubChem CID116760221
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-ethoxy-N,3-diethyloct-7-en-4-amine
SMILESC=CCCC(NCC)C(CC)(CC)OCC
InChIInChI=1S/C14H29NO/c1-6-11-12-13(15-9-4)14(7-2,8-3)16-10-5/h6,13,15H,1,7-12H2,2-5H3
InChIKeyDCEREURUYFGAEV-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.53
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,3-diethylnon-7-yn-4-amine
CID 116760060
2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine
CID 107009714
N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
CID 104987354
5-ethoxy-N-ethyl-5-methylhept-1-en-4-amine
CID 116758987
3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
N,3,3-trimethyloct-7-en-4-amine
CID 104987331
3-methoxy-3-methyl-N-propyloct-7-en-4-amine
CID 116758336
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137
1-cyclopropyl-1-ethoxy-N-ethylhex-5-en-2-amine
CID 116723744
N-ethyl-7-methylnon-1-en-5-amine
CID 104987440
4-ethoxy-N-ethyl-4-methylhex-1-en-3-amine
CID 116759022

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,3-diethyloct-7-en-4-amine?
The IUPAC name of 3-ethoxy-N,3-diethyloct-7-en-4-amine (CID 116760221) is 3-ethoxy-N,3-diethyloct-7-en-4-amine.
What is the SMILES notation for 3-ethoxy-N,3-diethyloct-7-en-4-amine?
The canonical SMILES for 3-ethoxy-N,3-diethyloct-7-en-4-amine is C=CCCC(NCC)C(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-N,3-diethyloct-7-en-4-amine?
The InChIKey is DCEREURUYFGAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-11-12-13(15-9-4)14(7-2,8-3)16-10-5/h6,13,15H,1,7-12H2,2-5H3.
What are the key properties of 3-ethoxy-N,3-diethyloct-7-en-4-amine?
3-ethoxy-N,3-diethyloct-7-en-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,3-diethyloct-7-en-4-amine is sourced from PubChem (CID 116760221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).