3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine

C8H14N2O — CID 141073998

IUPAC3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCOC1C=C(N)C=CC1(C)N
InChIInChI=1S/C8H14N2O/c1-8(10)4-3-6(9)5-7(8)11-2/h3-5,7H,9-10H2,1-2H3
InChIKeyAMDQPDQGXWHWDH-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.13
Rot. Bonds1

About 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine

3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 141073998) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine
PubChem CID141073998
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCOC1C=C(N)C=CC1(C)N
InChIInChI=1S/C8H14N2O/c1-8(10)4-3-6(9)5-7(8)11-2/h3-5,7H,9-10H2,1-2H3
InChIKeyAMDQPDQGXWHWDH-UHFFFAOYSA-N
XLogP0.13
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine (CID 141073998) is 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine is COC1C=C(N)C=CC1(C)N.
What is the InChIKey of 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is AMDQPDQGXWHWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(10)4-3-6(9)5-7(8)11-2/h3-5,7H,9-10H2,1-2H3.
What are the key properties of 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine?
3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 154.21 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 141073998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).