2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol

C10H15NO — CID 155204673

IUPAC2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol
SMILESCCC1=CCC(C)=CC(O)=C1N
InChIInChI=1S/C10H15NO/c1-3-8-5-4-7(2)6-9(12)10(8)11/h5-6,12H,3-4,11H2,1-2H3
InChIKeyRHBIGVMWUQIRSA-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.40
Rot. Bonds1

About 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol

2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol (PubChem CID 155204673) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol
PubChem CID155204673
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol
SMILESCCC1=CCC(C)=CC(O)=C1N
InChIInChI=1S/C10H15NO/c1-3-8-5-4-7(2)6-9(12)10(8)11/h5-6,12H,3-4,11H2,1-2H3
InChIKeyRHBIGVMWUQIRSA-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68144324
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
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2-(1-Aminoethenyl)cyclohexa-1,5-dien-1-ol
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CID 130217232

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol (CID 155204673) is 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol is CCC1=CCC(C)=CC(O)=C1N.
What is the InChIKey of 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol?
The InChIKey is RHBIGVMWUQIRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-8-5-4-7(2)6-9(12)10(8)11/h5-6,12H,3-4,11H2,1-2H3.
What are the key properties of 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol?
2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 155204673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).