2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine

C10H24N4 — CID 166901369

IUPAC2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine
SMILESCNCCN1CCN(CN(C)C)CC1
InChIInChI=1S/C10H24N4/c1-11-4-5-13-6-8-14(9-7-13)10-12(2)3/h11H,4-10H2,1-3H3
InChIKeyRNKPSTVOGJGBKP-UHFFFAOYSA-N
MW200.33 g/mol
LogP-0.66
Rot. Bonds5

About 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine

2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine (PubChem CID 166901369) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine
PubChem CID166901369
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine
SMILESCNCCN1CCN(CN(C)C)CC1
InChIInChI=1S/C10H24N4/c1-11-4-5-13-6-8-14(9-7-13)10-12(2)3/h11H,4-10H2,1-3H3
InChIKeyRNKPSTVOGJGBKP-UHFFFAOYSA-N
XLogP-0.66
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 130246433
N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
CID 177193446
N-methyl-2-piperazin-4-ium-1-ylethanamine
CID 18962734
2-(4,4-dimethylpiperidin-1-yl)-N-methylethanamine
CID 14979285
N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
CID 166151976
N-methyl-2-morpholin-4-ylethanamine;molecular hydrogen
CID 143640277
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine (CID 166901369) is 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine is CNCCN1CCN(CN(C)C)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine?
The InChIKey is RNKPSTVOGJGBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-11-4-5-13-6-8-14(9-7-13)10-12(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine?
2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine has a molecular weight of 200.33 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine is sourced from PubChem (CID 166901369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).