3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol

C11H17NO — CID 170370864

IUPAC3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol
SMILESCC(C)=CC1=C(O)CC(C)C=C1N
InChIInChI=1S/C11H17NO/c1-7(2)4-9-10(12)5-8(3)6-11(9)13/h4-5,8,13H,6,12H2,1-3H3
InChIKeyFGTPMRQZDXDZJU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.65
Rot. Bonds1

About 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol

3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol (PubChem CID 170370864) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol
PubChem CID170370864
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol
SMILESCC(C)=CC1=C(O)CC(C)C=C1N
InChIInChI=1S/C11H17NO/c1-7(2)4-9-10(12)5-8(3)6-11(9)13/h4-5,8,13H,6,12H2,1-3H3
InChIKeyFGTPMRQZDXDZJU-UHFFFAOYSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4E)-6-amino-5-(2-fluoropropan-2-yl)hepta-2,4,6-trien-2-ol
CID 166648367
2-Amino-3-methylcyclohexa-1,3-dien-1-ol
CID 58436629
(3-Amino-4-methylcyclohexa-2,4-dien-1-yl)methanol
CID 67737845
(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol
CID 126755582
(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
CID 130391029
acetylene;(1E)-3-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dien-1-ol;ethane
CID 143357506
4-Amino-2-methyl-3,6-dimethylidenecyclohexa-1,4-dien-1-ol;ethane
CID 143820253
(Z)-3-amino-5-methyl-4-methylidenehex-2-en-2-ol
CID 143962868
(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-amine;4-ethylhex-1-en-2-ol
CID 145486556
(2E,4E)-5-amino-3,6-dimethylhepta-2,4,6-trien-2-ol
CID 146288833
(3Z)-3-[(Z)-but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine;2,3-dimethylbutan-2-ol
CID 153399902
4-Amino-5-methylcyclohexa-1,3-dien-1-ol
CID 154542122

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol (CID 170370864) is 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol is CC(C)=CC1=C(O)CC(C)C=C1N.
What is the InChIKey of 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is FGTPMRQZDXDZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)4-9-10(12)5-8(3)6-11(9)13/h4-5,8,13H,6,12H2,1-3H3.
What are the key properties of 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol?
3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 170370864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).