3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol

C10H17NO — CID 89126559

IUPAC3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol
SMILESNCC1=CC2(O)CCCC(C1)C2
InChIInChI=1S/C10H17NO/c11-7-9-4-8-2-1-3-10(12,5-8)6-9/h6,8,12H,1-5,7,11H2
InChIKeyDIXGFOLJPYFUBM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.20
Rot. Bonds1

About 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol

3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol (PubChem CID 89126559) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol
PubChem CID89126559
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol
SMILESNCC1=CC2(O)CCCC(C1)C2
InChIInChI=1S/C10H17NO/c11-7-9-4-8-2-1-3-10(12,5-8)6-9/h6,8,12H,1-5,7,11H2
InChIKeyDIXGFOLJPYFUBM-UHFFFAOYSA-N
XLogP1.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol?
The IUPAC name of 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol (CID 89126559) is 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol.
What is the SMILES notation for 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol?
The canonical SMILES for 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol is NCC1=CC2(O)CCCC(C1)C2.
What is the InChIKey of 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol?
The InChIKey is DIXGFOLJPYFUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-7-9-4-8-2-1-3-10(12,5-8)6-9/h6,8,12H,1-5,7,11H2.
What are the key properties of 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol?
3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)bicyclo[3.3.1]non-2-en-1-ol is sourced from PubChem (CID 89126559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).