5,7-dimethylazocan-3-ol

C9H19NO — CID 134179601

IUPAC5,7-dimethylazocan-3-ol
SMILESCC1CNCC(O)CC(C)C1
InChIInChI=1S/C9H19NO/c1-7-3-8(2)5-10-6-9(11)4-7/h7-11H,3-6H2,1-2H3
InChIKeyCZHOAMLPWOGWNK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds

About 5,7-dimethylazocan-3-ol

5,7-dimethylazocan-3-ol (PubChem CID 134179601) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5,7-dimethylazocan-3-ol.

Molecular Properties

Compound Name5,7-dimethylazocan-3-ol
PubChem CID134179601
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5,7-dimethylazocan-3-ol
SMILESCC1CNCC(O)CC(C)C1
InChIInChI=1S/C9H19NO/c1-7-3-8(2)5-10-6-9(11)4-7/h7-11H,3-6H2,1-2H3
InChIKeyCZHOAMLPWOGWNK-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylazocan-3-ol?
The IUPAC name of 5,7-dimethylazocan-3-ol (CID 134179601) is 5,7-dimethylazocan-3-ol.
What is the SMILES notation for 5,7-dimethylazocan-3-ol?
The canonical SMILES for 5,7-dimethylazocan-3-ol is CC1CNCC(O)CC(C)C1.
What is the InChIKey of 5,7-dimethylazocan-3-ol?
The InChIKey is CZHOAMLPWOGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-3-8(2)5-10-6-9(11)4-7/h7-11H,3-6H2,1-2H3.
What are the key properties of 5,7-dimethylazocan-3-ol?
5,7-dimethylazocan-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylazocan-3-ol is sourced from PubChem (CID 134179601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).