1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol

C11H17NO — CID 91503472

IUPAC1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol
SMILESCC1=CC=CC(C)(NC(C)O)C=C1
InChIInChI=1S/C11H17NO/c1-9-5-4-7-11(3,8-6-9)12-10(2)13/h4-8,10,12-13H,1-3H3
InChIKeyZUAROUAFHXRPFL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.75
Rot. Bonds2

About 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol

1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol (PubChem CID 91503472) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol.

Molecular Properties

Compound Name1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol
PubChem CID91503472
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol
SMILESCC1=CC=CC(C)(NC(C)O)C=C1
InChIInChI=1S/C11H17NO/c1-9-5-4-7-11(3,8-6-9)12-10(2)13/h4-8,10,12-13H,1-3H3
InChIKeyZUAROUAFHXRPFL-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
CID 88544382
2-[[(Z)-2-methylidenepent-3-enyl]amino]ethanol
CID 89861478
2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
CID 90130168
N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine
CID 91122924
(Z)-2-methylidene-1-(propylamino)pent-3-en-1-ol
CID 117796391
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
CID 117941100
(Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol
CID 121464012
1-[[(2Z)-5-methylhexa-2,4-dienyl]amino]ethanol
CID 122680924
2-[[4-Methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol
CID 123519994
(3-Methylideneocta-4,6-dien-2-ylamino)methanol
CID 123793937
2-(2-Ethylidenepent-3-enylamino)ethanol
CID 123941674
(1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol
CID 137435817

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol?
The IUPAC name of 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol (CID 91503472) is 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol.
What is the SMILES notation for 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol?
The canonical SMILES for 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol is CC1=CC=CC(C)(NC(C)O)C=C1.
What is the InChIKey of 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol?
The InChIKey is ZUAROUAFHXRPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-5-4-7-11(3,8-6-9)12-10(2)13/h4-8,10,12-13H,1-3H3.
What are the key properties of 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol?
1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol is sourced from PubChem (CID 91503472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).