3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine

C13H24N4 — CID 137383051

IUPAC3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine
SMILESCC1C=NC(NCCN2CCN(C)CC2)=CC1
InChIInChI=1S/C13H24N4/c1-12-3-4-13(15-11-12)14-5-6-17-9-7-16(2)8-10-17/h4,11-12,14H,3,5-10H2,1-2H3
InChIKeyHZEDRKZVUWCDII-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.78
Rot. Bonds4

About 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine

3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine (PubChem CID 137383051) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine
PubChem CID137383051
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine
SMILESCC1C=NC(NCCN2CCN(C)CC2)=CC1
InChIInChI=1S/C13H24N4/c1-12-3-4-13(15-11-12)14-5-6-17-9-7-16(2)8-10-17/h4,11-12,14H,3,5-10H2,1-2H3
InChIKeyHZEDRKZVUWCDII-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine (CID 137383051) is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine is CC1C=NC(NCCN2CCN(C)CC2)=CC1.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine?
The InChIKey is HZEDRKZVUWCDII-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/h4,11-12,14H,3,5-10H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine?
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine has a molecular weight of 236.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine is sourced from PubChem (CID 137383051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).