1,4-dimethyl-1,4-diazepan-6-ol

C7H16N2O — CID 14999065

IUPAC1,4-dimethyl-1,4-diazepan-6-ol
SMILESCN1CCN(C)CC(O)C1
InChIInChI=1S/C7H16N2O/c1-8-3-4-9(2)6-7(10)5-8/h7,10H,3-6H2,1-2H3
InChIKeySGPGVLDQKUYCPJ-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.78
Rot. Bonds

About 1,4-dimethyl-1,4-diazepan-6-ol

1,4-dimethyl-1,4-diazepan-6-ol (PubChem CID 14999065) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1,4-dimethyl-1,4-diazepan-6-ol.

Molecular Properties

Compound Name1,4-dimethyl-1,4-diazepan-6-ol
PubChem CID14999065
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1,4-dimethyl-1,4-diazepan-6-ol
SMILESCN1CCN(C)CC(O)C1
InChIInChI=1S/C7H16N2O/c1-8-3-4-9(2)6-7(10)5-8/h7,10H,3-6H2,1-2H3
InChIKeySGPGVLDQKUYCPJ-UHFFFAOYSA-N
XLogP-0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-iodo-4-methyl-1,4-diazepan-6-ol
CID 130410427
1-methylazepan-3-ol
CID 22636113
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
ethane;4-methyl-1,4-oxazepan-6-ol
CID 169236342
2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 170181617
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol
CID 142949316
ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine
CID 142979324
1,6-dimethylazepan-3-ol
CID 118230247
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
1,3,4-trimethylpiperidine
CID 14454423

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1,4-diazepan-6-ol?
The IUPAC name of 1,4-dimethyl-1,4-diazepan-6-ol (CID 14999065) is 1,4-dimethyl-1,4-diazepan-6-ol.
What is the SMILES notation for 1,4-dimethyl-1,4-diazepan-6-ol?
The canonical SMILES for 1,4-dimethyl-1,4-diazepan-6-ol is CN1CCN(C)CC(O)C1.
What is the InChIKey of 1,4-dimethyl-1,4-diazepan-6-ol?
The InChIKey is SGPGVLDQKUYCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-8-3-4-9(2)6-7(10)5-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-1,4-diazepan-6-ol?
1,4-dimethyl-1,4-diazepan-6-ol has a molecular weight of 144.22 g/mol, XLogP of -0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-1,4-diazepan-6-ol is sourced from PubChem (CID 14999065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).