ethane;1-hydroxy-4-methyl-1,4-diazepane

C8H20N2O — CID 142087825

IUPACethane;1-hydroxy-4-methyl-1,4-diazepane
SMILESCC.CN1CCCN(O)CC1
InChIInChI=1S/C6H14N2O.C2H6/c1-7-3-2-4-8(9)6-5-7;1-2/h9H,2-6H2,1H3;1-2H3
InChIKeyBCEMKFSDLWIWIB-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.04
Rot. Bonds

About ethane;1-hydroxy-4-methyl-1,4-diazepane

ethane;1-hydroxy-4-methyl-1,4-diazepane (PubChem CID 142087825) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is ethane;1-hydroxy-4-methyl-1,4-diazepane.

Molecular Properties

Compound Nameethane;1-hydroxy-4-methyl-1,4-diazepane
PubChem CID142087825
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Nameethane;1-hydroxy-4-methyl-1,4-diazepane
SMILESCC.CN1CCCN(O)CC1
InChIInChI=1S/C6H14N2O.C2H6/c1-7-3-2-4-8(9)6-5-7;1-2/h9H,2-6H2,1H3;1-2H3
InChIKeyBCEMKFSDLWIWIB-UHFFFAOYSA-N
XLogP1.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-hydroxy-4-methylpiperazine
CID 142974106
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
ethane;bis(1-methylpyrrolidine)
CID 153385238
1,4-dimethylpiperazine;ethane
CID 91292414
1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
CID 157314435
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
1,3,6-trimethyl-1,3,6-triazecane
CID 154027654
ethane;methanol;1-methylazepane
CID 171650925

Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-4-methyl-1,4-diazepane?
The IUPAC name of ethane;1-hydroxy-4-methyl-1,4-diazepane (CID 142087825) is ethane;1-hydroxy-4-methyl-1,4-diazepane.
What is the SMILES notation for ethane;1-hydroxy-4-methyl-1,4-diazepane?
The canonical SMILES for ethane;1-hydroxy-4-methyl-1,4-diazepane is CC.CN1CCCN(O)CC1.
What is the InChIKey of ethane;1-hydroxy-4-methyl-1,4-diazepane?
The InChIKey is BCEMKFSDLWIWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c1-7-3-2-4-8(9)6-5-7;1-2/h9H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-hydroxy-4-methyl-1,4-diazepane?
ethane;1-hydroxy-4-methyl-1,4-diazepane has a molecular weight of 160.26 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-4-methyl-1,4-diazepane is sourced from PubChem (CID 142087825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).