N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine

C12H20N4 — CID 57028638

IUPACN-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine
SMILESCC1(CCNc2ccccn2)CNCCN1
InChIInChI=1S/C12H20N4/c1-12(10-13-8-9-16-12)5-7-15-11-4-2-3-6-14-11/h2-4,6,13,16H,5,7-10H2,1H3,(H,14,15)
InChIKeyAZTSIMNRCFFALF-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.84
Rot. Bonds4

About N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine

N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine (PubChem CID 57028638) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine
PubChem CID57028638
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine
SMILESCC1(CCNc2ccccn2)CNCCN1
InChIInChI=1S/C12H20N4/c1-12(10-13-8-9-16-12)5-7-15-11-4-2-3-6-14-11/h2-4,6,13,16H,5,7-10H2,1H3,(H,14,15)
InChIKeyAZTSIMNRCFFALF-UHFFFAOYSA-N
XLogP0.84
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine (CID 57028638) is N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine is CC1(CCNc2ccccn2)CNCCN1.
What is the InChIKey of N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine?
The InChIKey is AZTSIMNRCFFALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-12(10-13-8-9-16-12)5-7-15-11-4-2-3-6-14-11/h2-4,6,13,16H,5,7-10H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine?
N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperazin-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 57028638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).