5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine

C13H24N4 — CID 137383022

IUPAC5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine
SMILESCC1=CCC(NCCN2CCN(C)CC2)N=C1
InChIInChI=1S/C13H24N4/c1-12-3-4-13(15-11-12)14-5-6-17-9-7-16(2)8-10-17/h3,11,13-14H,4-10H2,1-2H3
InChIKeyLNMSIMBZGXHZKS-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.57
Rot. Bonds4

About 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine

5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine (PubChem CID 137383022) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine
PubChem CID137383022
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine
SMILESCC1=CCC(NCCN2CCN(C)CC2)N=C1
InChIInChI=1S/C13H24N4/c1-12-3-4-13(15-11-12)14-5-6-17-9-7-16(2)8-10-17/h3,11,13-14H,4-10H2,1-2H3
InChIKeyLNMSIMBZGXHZKS-UHFFFAOYSA-N
XLogP0.57
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperazin-1-yl-2H-pyridin-3-amine
CID 19981942
1-(5-Methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
CID 70843752
(2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine
CID 142365384
1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine
CID 143791655
(Z)-N-methyl-2-(piperazin-1-ylmethyl)pent-2-en-1-imine
CID 144105550
1-[(2-Iodo-3-methyl-2,3-dihydropyridin-5-yl)methyl]piperazine
CID 145197882
1-(3-Methyl-2,3-dihydropyridin-2-yl)piperazine
CID 146890252
7-Methyl-1,2,3,4,4a,8a-hexahydropyrido[2,3-b]pyrazine
CID 155416233
(E)-1-[(E)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methylbut-1-enyl]iminobut-2-en-2-amine
CID 173518658
2-(4,5-dimethyl-2,3-dihydropyrazin-1-yl)-N-[[[(Z)-2-methylpent-2-enylidene]amino]methyl]ethanamine
CID 173782755

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine?
The IUPAC name of 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine (CID 137383022) is 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine?
The canonical SMILES for 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine is CC1=CCC(NCCN2CCN(C)CC2)N=C1.
What is the InChIKey of 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine?
The InChIKey is LNMSIMBZGXHZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12-3-4-13(15-11-12)14-5-6-17-9-7-16(2)8-10-17/h3,11,13-14H,4-10H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine?
5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 137383022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).