2-methoxycyclohexa-2,4-dien-1-amine

C7H11NO — CID 19844402

IUPAC2-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC=CCC1N
InChIInChI=1S/C7H11NO/c1-9-7-5-3-2-4-6(7)8/h2-3,5-6H,4,8H2,1H3
InChIKeyJCZLOXBFQZNGFW-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.80
Rot. Bonds1

About 2-methoxycyclohexa-2,4-dien-1-amine

2-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 19844402) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-methoxycyclohexa-2,4-dien-1-amine
PubChem CID19844402
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC=CCC1N
InChIInChI=1S/C7H11NO/c1-9-7-5-3-2-4-6(7)8/h2-3,5-6H,4,8H2,1H3
InChIKeyJCZLOXBFQZNGFW-UHFFFAOYSA-N
XLogP0.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-methoxycyclohexa-2,4-dien-1-amine (CID 19844402) is 2-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-methoxycyclohexa-2,4-dien-1-amine is COC1=CC=CCC1N.
What is the InChIKey of 2-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is JCZLOXBFQZNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-9-7-5-3-2-4-6(7)8/h2-3,5-6H,4,8H2,1H3.
What are the key properties of 2-methoxycyclohexa-2,4-dien-1-amine?
2-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 19844402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).