2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine

C10H17NO — CID 130246395

IUPAC2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
SMILESCNCCC1C=CC(OC)=CC1
InChIInChI=1S/C10H17NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3,5-6,9,11H,4,7-8H2,1-2H3
InChIKeyOZDPPZQSDIIZIR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds4

About 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine

2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine (PubChem CID 130246395) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
PubChem CID130246395
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
SMILESCNCCC1C=CC(OC)=CC1
InChIInChI=1S/C10H17NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3,5-6,9,11H,4,7-8H2,1-2H3
InChIKeyOZDPPZQSDIIZIR-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine?
The IUPAC name of 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine (CID 130246395) is 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine is CNCCC1C=CC(OC)=CC1.
What is the InChIKey of 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine?
The InChIKey is OZDPPZQSDIIZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3,5-6,9,11H,4,7-8H2,1-2H3.
What are the key properties of 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine?
2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine is sourced from PubChem (CID 130246395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).