5-(methoxymethyl)cyclohexa-1,3-dien-1-amine

C8H13NO — CID 89191413

IUPAC5-(methoxymethyl)cyclohexa-1,3-dien-1-amine
SMILESCOCC1C=CC=C(N)C1
InChIInChI=1S/C8H13NO/c1-10-6-7-3-2-4-8(9)5-7/h2-4,7H,5-6,9H2,1H3
InChIKeyRAPHPMAHANXBNY-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.05
Rot. Bonds2

About 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine

5-(methoxymethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 89191413) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(methoxymethyl)cyclohexa-1,3-dien-1-amine
PubChem CID89191413
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-(methoxymethyl)cyclohexa-1,3-dien-1-amine
SMILESCOCC1C=CC=C(N)C1
InChIInChI=1S/C8H13NO/c1-10-6-7-3-2-4-8(9)5-7/h2-4,7H,5-6,9H2,1H3
InChIKeyRAPHPMAHANXBNY-UHFFFAOYSA-N
XLogP1.05
TPSA35.25 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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine (CID 89191413) is 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine is COCC1C=CC=C(N)C1.
What is the InChIKey of 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is RAPHPMAHANXBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-6-7-3-2-4-8(9)5-7/h2-4,7H,5-6,9H2,1H3.
What are the key properties of 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine?
5-(methoxymethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89191413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).