N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine

C13H23NO2 — CID 143792123

IUPACN,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CCC(OC)C=C1
InChIInChI=1S/C13H23NO2/c1-4-14(5-2)10-11-16-13-8-6-12(15-3)7-9-13/h6,8-9,12H,4-5,7,10-11H2,1-3H3
InChIKeyUMDUECPXWRUKHM-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds7

About N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine

N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine (PubChem CID 143792123) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine
PubChem CID143792123
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CCC(OC)C=C1
InChIInChI=1S/C13H23NO2/c1-4-14(5-2)10-11-16-13-8-6-12(15-3)7-9-13/h6,8-9,12H,4-5,7,10-11H2,1-3H3
InChIKeyUMDUECPXWRUKHM-UHFFFAOYSA-N
XLogP2.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 169112623
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine
CID 54095924
2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine
CID 57218035
p-N,N-dimethylaminoethoxy 4-iodobenzene
CID 67586537
2-(4-chlorocyclohexa-2,4-dien-1-yl)oxy-N,N-dimethylethanamine
CID 68393357
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 68902382
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine
CID 68902982

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine (CID 143792123) is N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine is CCN(CC)CCOC1=CCC(OC)C=C1.
What is the InChIKey of N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine?
The InChIKey is UMDUECPXWRUKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-14(5-2)10-11-16-13-8-6-12(15-3)7-9-13/h6,8-9,12H,4-5,7,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine?
N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine is sourced from PubChem (CID 143792123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).