1,6-dimethylazepan-3-ol

C8H17NO — CID 118230247

IUPAC1,6-dimethylazepan-3-ol
SMILESCC1CCC(O)CN(C)C1
InChIInChI=1S/C8H17NO/c1-7-3-4-8(10)6-9(2)5-7/h7-8,10H,3-6H2,1-2H3
InChIKeyHDPUJUVFJIVFMI-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds

About 1,6-dimethylazepan-3-ol

1,6-dimethylazepan-3-ol (PubChem CID 118230247) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,6-dimethylazepan-3-ol.

Molecular Properties

Compound Name1,6-dimethylazepan-3-ol
PubChem CID118230247
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1,6-dimethylazepan-3-ol
SMILESCC1CCC(O)CN(C)C1
InChIInChI=1S/C8H17NO/c1-7-3-4-8(10)6-9(2)5-7/h7-8,10H,3-6H2,1-2H3
InChIKeyHDPUJUVFJIVFMI-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
4-methylcyclohexan-1-ol
CID 11524
(3R)-1,3-dimethylpyrrolidine
CID 58412242
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 147950414
1,6-dimethylpiperidin-3-ol;ethane
CID 170766589
1-methylazepan-3-ol
CID 22636113
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
1,3,5,7,9-pentamethyl-1,3,7-triazecane
CID 154027656
1,3-dimethylpyrrolidine;propan-2-ol
CID 166075610
(3R)-1,3-dimethylpiperidine
CID 23277968

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylazepan-3-ol?
The IUPAC name of 1,6-dimethylazepan-3-ol (CID 118230247) is 1,6-dimethylazepan-3-ol.
What is the SMILES notation for 1,6-dimethylazepan-3-ol?
The canonical SMILES for 1,6-dimethylazepan-3-ol is CC1CCC(O)CN(C)C1.
What is the InChIKey of 1,6-dimethylazepan-3-ol?
The InChIKey is HDPUJUVFJIVFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-3-4-8(10)6-9(2)5-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1,6-dimethylazepan-3-ol?
1,6-dimethylazepan-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylazepan-3-ol is sourced from PubChem (CID 118230247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).