3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol

C10H15NO — CID 126660651

IUPAC3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol
SMILESCC(N)C1(C)C=CC=CC(O)=C1
InChIInChI=1S/C10H15NO/c1-8(11)10(2)6-4-3-5-9(12)7-10/h3-8,12H,11H2,1-2H3
InChIKeyBQAOQROGKLFXFO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.91
Rot. Bonds1

About 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol

3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol (PubChem CID 126660651) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol
PubChem CID126660651
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol
SMILESCC(N)C1(C)C=CC=CC(O)=C1
InChIInChI=1S/C10H15NO/c1-8(11)10(2)6-4-3-5-9(12)7-10/h3-8,12H,11H2,1-2H3
InChIKeyBQAOQROGKLFXFO-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol?
The IUPAC name of 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol (CID 126660651) is 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol is CC(N)C1(C)C=CC=CC(O)=C1.
What is the InChIKey of 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol?
The InChIKey is BQAOQROGKLFXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(11)10(2)6-4-3-5-9(12)7-10/h3-8,12H,11H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol?
3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 126660651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).