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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Related Compounds

(4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol
CID 163911177
6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol
CID 67962900
(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
CID 130391029
5-Amino-1-methylcyclohexa-2,4-dien-1-ol
CID 140191842
5-Amino-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 145803988
(3Z)-3-[(Z)-but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;2,3-dimethylbutan-2-ol
CID 153399902
(4E,6Z)-5-amino-2-methylnona-4,6,8-trien-2-ol
CID 166735004
(3Z,4E,6Z)-7-amino-2-methyl-3-propylidenedeca-4,6-dien-2-ol
CID 169928499
[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten
CID 59375178
2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol
CID 144658807
2-(4-Amino-2-methylcyclopenta-1,4-dien-1-yl)propan-2-ol
CID 153589766
(4Z,6Z)-7-amino-3,4-dimethylocta-1,4,6-trien-2-ol
CID 168202861

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).