3-(aminomethyl)-3-ethyloct-7-en-1-ol

C11H23NO — CID 163561615

IUPAC3-(aminomethyl)-3-ethyloct-7-en-1-ol
SMILESC=CCCCC(CC)(CN)CCO
InChIInChI=1S/C11H23NO/c1-3-5-6-7-11(4-2,10-12)8-9-13/h3,13H,1,4-10,12H2,2H3
InChIKeyFRRLFTBGQZFSGC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.08
Rot. Bonds8

About 3-(aminomethyl)-3-ethyloct-7-en-1-ol

3-(aminomethyl)-3-ethyloct-7-en-1-ol (PubChem CID 163561615) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(aminomethyl)-3-ethyloct-7-en-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-ethyloct-7-en-1-ol
PubChem CID163561615
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(aminomethyl)-3-ethyloct-7-en-1-ol
SMILESC=CCCCC(CC)(CN)CCO
InChIInChI=1S/C11H23NO/c1-3-5-6-7-11(4-2,10-12)8-9-13/h3,13H,1,4-10,12H2,2H3
InChIKeyFRRLFTBGQZFSGC-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-ethyloct-7-en-1-ol?
The IUPAC name of 3-(aminomethyl)-3-ethyloct-7-en-1-ol (CID 163561615) is 3-(aminomethyl)-3-ethyloct-7-en-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-ethyloct-7-en-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-ethyloct-7-en-1-ol is C=CCCCC(CC)(CN)CCO.
What is the InChIKey of 3-(aminomethyl)-3-ethyloct-7-en-1-ol?
The InChIKey is FRRLFTBGQZFSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-6-7-11(4-2,10-12)8-9-13/h3,13H,1,4-10,12H2,2H3.
What are the key properties of 3-(aminomethyl)-3-ethyloct-7-en-1-ol?
3-(aminomethyl)-3-ethyloct-7-en-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-ethyloct-7-en-1-ol is sourced from PubChem (CID 163561615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).