6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine

C10H17NO — CID 155572400

IUPAC6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine
SMILESCCNC1=CCCC=C1OCC
InChIInChI=1S/C10H17NO/c1-3-11-9-7-5-6-8-10(9)12-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyUWADBLJZYVSWHA-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.19
Rot. Bonds4

About 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine

6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine (PubChem CID 155572400) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine
PubChem CID155572400
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine
SMILESCCNC1=CCCC=C1OCC
InChIInChI=1S/C10H17NO/c1-3-11-9-7-5-6-8-10(9)12-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyUWADBLJZYVSWHA-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine (CID 155572400) is 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine is CCNC1=CCCC=C1OCC.
What is the InChIKey of 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine?
The InChIKey is UWADBLJZYVSWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-11-9-7-5-6-8-10(9)12-4-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine?
6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-ethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 155572400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).