4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol

C8H14N2O — CID 174461428

IUPAC4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1C=C(N)C=CC1(C)O
InChIInChI=1S/C8H14N2O/c1-8(11)4-3-6(9)5-7(8)10-2/h3-5,7,10-11H,9H2,1-2H3
InChIKeyIHDIKFVJLRZRCC-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.26
Rot. Bonds1

About 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol

4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 174461428) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol
PubChem CID174461428
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1C=C(N)C=CC1(C)O
InChIInChI=1S/C8H14N2O/c1-8(11)4-3-6(9)5-7(8)10-2/h3-5,7,10-11H,9H2,1-2H3
InChIKeyIHDIKFVJLRZRCC-UHFFFAOYSA-N
XLogP-0.26
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol (CID 174461428) is 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol is CNC1C=C(N)C=CC1(C)O.
What is the InChIKey of 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is IHDIKFVJLRZRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(11)4-3-6(9)5-7(8)10-2/h3-5,7,10-11H,9H2,1-2H3.
What are the key properties of 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol?
4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-6-(methylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174461428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).