2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine

C10H17NO — CID 19836973

IUPAC2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1C=CC=CC1
InChIInChI=1S/C10H17NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-6,10H,7-9H2,1-2H3
InChIKeyPSTWDAOIPLAQSY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds4

About 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine

2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine (PubChem CID 19836973) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
PubChem CID19836973
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1C=CC=CC1
InChIInChI=1S/C10H17NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-6,10H,7-9H2,1-2H3
InChIKeyPSTWDAOIPLAQSY-UHFFFAOYSA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine (CID 19836973) is 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine is CN(C)CCOC1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine?
The InChIKey is PSTWDAOIPLAQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine?
2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine is sourced from PubChem (CID 19836973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).