1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol

C8H14N2O — CID 70601993

IUPAC1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=C(N)C(C)C1(N)O
InChIInChI=1S/C8H14N2O/c1-5-3-4-7(9)6(2)8(5,10)11/h3-4,6,11H,9-10H2,1-2H3
InChIKeyVNMPNQIFTLHAJZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.07
Rot. Bonds

About 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol

1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 70601993) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID70601993
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=C(N)C(C)C1(N)O
InChIInChI=1S/C8H14N2O/c1-5-3-4-7(9)6(2)8(5,10)11/h3-4,6,11H,9-10H2,1-2H3
InChIKeyVNMPNQIFTLHAJZ-UHFFFAOYSA-N
XLogP0.07
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol (CID 70601993) is 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC=C(N)C(C)C1(N)O.
What is the InChIKey of 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is VNMPNQIFTLHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-3-4-7(9)6(2)8(5,10)11/h3-4,6,11H,9-10H2,1-2H3.
What are the key properties of 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol?
1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of 0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diamino-2,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70601993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).