5-methoxy-N-methylcyclohexa-1,5-dien-1-amine

C8H13NO — CID 90165423

IUPAC5-methoxy-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CCCC(OC)=C1
InChIInChI=1S/C8H13NO/c1-9-7-4-3-5-8(6-7)10-2/h4,6,9H,3,5H2,1-2H3
InChIKeyNTVZVXHIRLPWMM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.41
Rot. Bonds2

About 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine

5-methoxy-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 90165423) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-methoxy-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID90165423
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-methoxy-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CCCC(OC)=C1
InChIInChI=1S/C8H13NO/c1-9-7-4-3-5-8(6-7)10-2/h4,6,9H,3,5H2,1-2H3
InChIKeyNTVZVXHIRLPWMM-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine (CID 90165423) is 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine is CNC1=CCCC(OC)=C1.
What is the InChIKey of 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is NTVZVXHIRLPWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-7-4-3-5-8(6-7)10-2/h4,6,9H,3,5H2,1-2H3.
What are the key properties of 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
5-methoxy-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 90165423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).