1,3-dimethylazepan-3-ol

C8H17NO — CID 59015752

IUPAC1,3-dimethylazepan-3-ol
SMILESCN1CCCCC(C)(O)C1
InChIInChI=1S/C8H17NO/c1-8(10)5-3-4-6-9(2)7-8/h10H,3-7H2,1-2H3
InChIKeyHUWHGMIRYFYYCN-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds

About 1,3-dimethylazepan-3-ol

1,3-dimethylazepan-3-ol (PubChem CID 59015752) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,3-dimethylazepan-3-ol.

Molecular Properties

Compound Name1,3-dimethylazepan-3-ol
PubChem CID59015752
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1,3-dimethylazepan-3-ol
SMILESCN1CCCCC(C)(O)C1
InChIInChI=1S/C8H17NO/c1-8(10)5-3-4-6-9(2)7-8/h10H,3-7H2,1-2H3
InChIKeyHUWHGMIRYFYYCN-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylazepan-3-ol?
The IUPAC name of 1,3-dimethylazepan-3-ol (CID 59015752) is 1,3-dimethylazepan-3-ol.
What is the SMILES notation for 1,3-dimethylazepan-3-ol?
The canonical SMILES for 1,3-dimethylazepan-3-ol is CN1CCCCC(C)(O)C1.
What is the InChIKey of 1,3-dimethylazepan-3-ol?
The InChIKey is HUWHGMIRYFYYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(10)5-3-4-6-9(2)7-8/h10H,3-7H2,1-2H3.
What are the key properties of 1,3-dimethylazepan-3-ol?
1,3-dimethylazepan-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylazepan-3-ol is sourced from PubChem (CID 59015752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).