4,7-dimethyl-1,4-diazepan-2-ol;ethane

C9H22N2O — CID 142873717

IUPAC4,7-dimethyl-1,4-diazepan-2-ol;ethane
SMILESCC.CC1CCN(C)CC(O)N1
InChIInChI=1S/C7H16N2O.C2H6/c1-6-3-4-9(2)5-7(10)8-6;1-2/h6-8,10H,3-5H2,1-2H3;1-2H3
InChIKeyJZUBUJHBCLDXBL-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.64
Rot. Bonds

About 4,7-dimethyl-1,4-diazepan-2-ol;ethane

4,7-dimethyl-1,4-diazepan-2-ol;ethane (PubChem CID 142873717) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 4,7-dimethyl-1,4-diazepan-2-ol;ethane.

Molecular Properties

Compound Name4,7-dimethyl-1,4-diazepan-2-ol;ethane
PubChem CID142873717
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name4,7-dimethyl-1,4-diazepan-2-ol;ethane
SMILESCC.CC1CCN(C)CC(O)N1
InChIInChI=1S/C7H16N2O.C2H6/c1-6-3-4-9(2)5-7(10)8-6;1-2/h6-8,10H,3-5H2,1-2H3;1-2H3
InChIKeyJZUBUJHBCLDXBL-UHFFFAOYSA-N
XLogP0.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45087354
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
ethane;1,3,4-trimethylpiperidine
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1,4-dimethylpiperidin-3-amine;ethane
CID 169133952
8,9-diethyl-1,4-dimethyl-1,5-diazecan-6-amine
CID 139524563
(3R)-1,3-dimethylpyrrolidine
CID 58412242
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
1,3-dimethylpiperazine;ethane
CID 167500512
(5S)-1,5-dimethyl-1,4-diazepane
CID 93492381
(3R)-1,3-dimethylpiperazine;ethane
CID 143846249

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,4-diazepan-2-ol;ethane?
The IUPAC name of 4,7-dimethyl-1,4-diazepan-2-ol;ethane (CID 142873717) is 4,7-dimethyl-1,4-diazepan-2-ol;ethane.
What is the SMILES notation for 4,7-dimethyl-1,4-diazepan-2-ol;ethane?
The canonical SMILES for 4,7-dimethyl-1,4-diazepan-2-ol;ethane is CC.CC1CCN(C)CC(O)N1.
What is the InChIKey of 4,7-dimethyl-1,4-diazepan-2-ol;ethane?
The InChIKey is JZUBUJHBCLDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H6/c1-6-3-4-9(2)5-7(10)8-6;1-2/h6-8,10H,3-5H2,1-2H3;1-2H3.
What are the key properties of 4,7-dimethyl-1,4-diazepan-2-ol;ethane?
4,7-dimethyl-1,4-diazepan-2-ol;ethane has a molecular weight of 174.29 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,4-diazepan-2-ol;ethane is sourced from PubChem (CID 142873717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).