1,4-dimethylazocan-3-ol

C9H19NO — CID 122548031

IUPAC1,4-dimethylazocan-3-ol
SMILESCC1CCCCN(C)CC1O
InChIInChI=1S/C9H19NO/c1-8-5-3-4-6-10(2)7-9(8)11/h8-9,11H,3-7H2,1-2H3
InChIKeySDWPUFRBTIPLNZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds

About 1,4-dimethylazocan-3-ol

1,4-dimethylazocan-3-ol (PubChem CID 122548031) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,4-dimethylazocan-3-ol.

Molecular Properties

Compound Name1,4-dimethylazocan-3-ol
PubChem CID122548031
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1,4-dimethylazocan-3-ol
SMILESCC1CCCCN(C)CC1O
InChIInChI=1S/C9H19NO/c1-8-5-3-4-6-10(2)7-9(8)11/h8-9,11H,3-7H2,1-2H3
InChIKeySDWPUFRBTIPLNZ-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylazocan-3-ol?
The IUPAC name of 1,4-dimethylazocan-3-ol (CID 122548031) is 1,4-dimethylazocan-3-ol.
What is the SMILES notation for 1,4-dimethylazocan-3-ol?
The canonical SMILES for 1,4-dimethylazocan-3-ol is CC1CCCCN(C)CC1O.
What is the InChIKey of 1,4-dimethylazocan-3-ol?
The InChIKey is SDWPUFRBTIPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8-5-3-4-6-10(2)7-9(8)11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1,4-dimethylazocan-3-ol?
1,4-dimethylazocan-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylazocan-3-ol is sourced from PubChem (CID 122548031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).