4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol

C11H19NO — CID 142910656

IUPAC4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol
SMILESCC(O)(CCN)C1(C)C=CC=CC1
InChIInChI=1S/C11H19NO/c1-10(6-4-3-5-7-10)11(2,13)8-9-12/h3-6,13H,7-9,12H2,1-2H3
InChIKeyTUSJBOZBXUZMLM-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.61
Rot. Bonds3

About 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol

4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol (PubChem CID 142910656) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol
PubChem CID142910656
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol
SMILESCC(O)(CCN)C1(C)C=CC=CC1
InChIInChI=1S/C11H19NO/c1-10(6-4-3-5-7-10)11(2,13)8-9-12/h3-6,13H,7-9,12H2,1-2H3
InChIKeyTUSJBOZBXUZMLM-UHFFFAOYSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R*,R*)-(1)-alpha-(1-Aminoethyl)benzyl alcohol hydrochloride
CID 6451279
(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride
CID 146677614
1-(2-Aminopropyl)cyclohexa-2,4-dien-1-ol
CID 78410869
2-Amino-1,1-di(cyclohexa-2,4-dien-1-yl)propan-1-ol
CID 124001574
2-Amino-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanol
CID 141505616
4-Amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol
CID 142909451
1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol
CID 163368220
(E)-1-amino-3-ethylnon-6-en-3-ol
CID 167118184
(E,3R)-1-amino-3-ethylnon-6-en-3-ol
CID 170291638
(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol
CID 6451280

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol?
The IUPAC name of 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol (CID 142910656) is 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol?
The canonical SMILES for 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol is CC(O)(CCN)C1(C)C=CC=CC1.
What is the InChIKey of 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol?
The InChIKey is TUSJBOZBXUZMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(6-4-3-5-7-10)11(2,13)8-9-12/h3-6,13H,7-9,12H2,1-2H3.
What are the key properties of 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol?
4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol is sourced from PubChem (CID 142910656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).