2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol

C7H12N2O — CID 69025830

IUPAC2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC1(N)C=CC(O)=C(N)C1
InChIInChI=1S/C7H12N2O/c1-7(9)3-2-6(10)5(8)4-7/h2-3,10H,4,8-9H2,1H3
InChIKeyLLWLQTNQRFXXPZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.39
Rot. Bonds

About 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol

2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol (PubChem CID 69025830) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol
PubChem CID69025830
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC1(N)C=CC(O)=C(N)C1
InChIInChI=1S/C7H12N2O/c1-7(9)3-2-6(10)5(8)4-7/h2-3,10H,4,8-9H2,1H3
InChIKeyLLWLQTNQRFXXPZ-UHFFFAOYSA-N
XLogP0.39
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol (CID 69025830) is 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol is CC1(N)C=CC(O)=C(N)C1.
What is the InChIKey of 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is LLWLQTNQRFXXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(9)3-2-6(10)5(8)4-7/h2-3,10H,4,8-9H2,1H3.
What are the key properties of 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol?
2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.39, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-4-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 69025830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).