4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol

C11H17NO — CID 69305731

IUPAC4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol
SMILESCC(C)(O)CC=C1C=CC=C(N)C1
InChIInChI=1S/C11H17NO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-6,13H,7-8,12H2,1-2H3
InChIKeyNJBVKKPRRXYUBW-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.88
Rot. Bonds2

About 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol

4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol (PubChem CID 69305731) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol
PubChem CID69305731
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol
SMILESCC(C)(O)CC=C1C=CC=C(N)C1
InChIInChI=1S/C11H17NO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-6,13H,7-8,12H2,1-2H3
InChIKeyNJBVKKPRRXYUBW-UHFFFAOYSA-N
XLogP1.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol?
The IUPAC name of 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol (CID 69305731) is 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol?
The canonical SMILES for 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol is CC(C)(O)CC=C1C=CC=C(N)C1.
What is the InChIKey of 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol?
The InChIKey is NJBVKKPRRXYUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-6,13H,7-8,12H2,1-2H3.
What are the key properties of 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol?
4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol is sourced from PubChem (CID 69305731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).