N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine

C13H23NO2 — CID 173069798

IUPACN,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CCCC=C1OC
InChIInChI=1S/C13H23NO2/c1-4-14(5-2)10-11-16-13-9-7-6-8-12(13)15-3/h8-9H,4-7,10-11H2,1-3H3
InChIKeyLUSNDYHAWZKPEC-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.55
Rot. Bonds7

About N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine

N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine (PubChem CID 173069798) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine
PubChem CID173069798
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CCCC=C1OC
InChIInChI=1S/C13H23NO2/c1-4-14(5-2)10-11-16-13-9-7-6-8-12(13)15-3/h8-9H,4-7,10-11H2,1-3H3
InChIKeyLUSNDYHAWZKPEC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine (CID 173069798) is N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine is CCN(CC)CCOC1=CCCC=C1OC.
What is the InChIKey of N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine?
The InChIKey is LUSNDYHAWZKPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-14(5-2)10-11-16-13-9-7-6-8-12(13)15-3/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine?
N,N-diethyl-2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.55, 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-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine is sourced from PubChem (CID 173069798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).