N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone

C9H21N3O — CID 160870034

IUPACN-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CNC
InChIInChI=1S/C7H14N2O.C2H7N/c1-7(10)9-5-3-8(2)4-6-9;1-3-2/h3-6H2,1-2H3;3H,1-2H3
InChIKeySLQDZZNVBHCWIG-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.38
Rot. Bonds

About N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone

N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 160870034) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound NameN-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
PubChem CID160870034
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CNC
InChIInChI=1S/C7H14N2O.C2H7N/c1-7(10)9-5-3-8(2)4-6-9;1-3-2/h3-6H2,1-2H3;3H,1-2H3
InChIKeySLQDZZNVBHCWIG-UHFFFAOYSA-N
XLogP-0.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)ethanone
CID 550758
formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
CID 160510205
methyl 4-acetylpiperazine-1-sulfinate;1-(4-methylpiperazin-1-yl)ethanone
CID 91394347
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
N,4-dimethyl-1,4-diazepane-1-carboxamide
CID 59680276
(Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide
CID 90066059
1-(azetidin-1-yl)ethanone
CID 14061673
N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide
CID 108915415
2-(4-methylpiperazin-1-yl)-2-oxoacetohydrazide
CID 2760035

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone (CID 160870034) is N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C)CC1.CNC.
What is the InChIKey of N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is SLQDZZNVBHCWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H7N/c1-7(10)9-5-3-8(2)4-6-9;1-3-2/h3-6H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone?
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 187.29 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 160870034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).