3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol

C8H11NO — CID 89381340

IUPAC3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol
SMILESNCC1=CCC=CC(O)=C1
InChIInChI=1S/C8H11NO/c9-6-7-3-1-2-4-8(10)5-7/h2-5,10H,1,6,9H2
InChIKeyDMWNRZQLITUOFH-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.27
Rot. Bonds1

About 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol

3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol (PubChem CID 89381340) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol
PubChem CID89381340
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol
SMILESNCC1=CCC=CC(O)=C1
InChIInChI=1S/C8H11NO/c9-6-7-3-1-2-4-8(10)5-7/h2-5,10H,1,6,9H2
InChIKeyDMWNRZQLITUOFH-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol (CID 89381340) is 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol is NCC1=CCC=CC(O)=C1.
What is the InChIKey of 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol?
The InChIKey is DMWNRZQLITUOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-6-7-3-1-2-4-8(10)5-7/h2-5,10H,1,6,9H2.
What are the key properties of 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol?
3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)cyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 89381340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).