ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone

C10H22N2O — CID 142979179

IUPACethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCC.CC(=O)N1CCCN(C)CC1
InChIInChI=1S/C8H16N2O.C2H6/c1-8(11)10-5-3-4-9(2)6-7-10;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyAXMLCQXZVILWGC-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.20
Rot. Bonds

About ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone

ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone (PubChem CID 142979179) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
PubChem CID142979179
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nameethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCC.CC(=O)N1CCCN(C)CC1
InChIInChI=1S/C8H16N2O.C2H6/c1-8(11)10-5-3-4-9(2)6-7-10;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyAXMLCQXZVILWGC-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperazin-1-yl)ethanone
CID 550758
1-(azetidin-1-yl)ethanone
CID 14061673
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
N,4-dimethyl-1,4-diazepane-1-carboxamide
CID 59680276
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 28745499
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 176675857
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
3-methyl-1-(4-methyl-1,4-diazepan-1-yl)-2-sulfanylbutan-1-one
CID 107021855

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone (CID 142979179) is ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone is CC.CC(=O)N1CCCN(C)CC1.
What is the InChIKey of ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is AXMLCQXZVILWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2H6/c1-8(11)10-5-3-4-9(2)6-7-10;1-2/h3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone?
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 186.30 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 142979179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).