1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol

C11H20N2O — CID 66669495

IUPAC1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CC(C)C(N)(O)C(CC)=C1N
InChIInChI=1S/C11H20N2O/c1-4-8-6-7(3)11(13,14)9(5-2)10(8)12/h6-7,14H,4-5,12-13H2,1-3H3
InChIKeyZSVQEHMMNXVCHU-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.24
Rot. Bonds2

About 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol

1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 66669495) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID66669495
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CC(C)C(N)(O)C(CC)=C1N
InChIInChI=1S/C11H20N2O/c1-4-8-6-7(3)11(13,14)9(5-2)10(8)12/h6-7,14H,4-5,12-13H2,1-3H3
InChIKeyZSVQEHMMNXVCHU-UHFFFAOYSA-N
XLogP1.24
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.24
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 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol (CID 66669495) is 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol is CCC1=CC(C)C(N)(O)C(CC)=C1N.
What is the InChIKey of 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is ZSVQEHMMNXVCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-8-6-7(3)11(13,14)9(5-2)10(8)12/h6-7,14H,4-5,12-13H2,1-3H3.
What are the key properties of 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol?
1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 196.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-2,4-diethyl-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 66669495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).