N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine

C13H22N4 — CID 79243422

IUPACN-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCCNc1cccc(CN2CCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-3-14-13-6-4-5-12(15-13)11-17-9-7-16(2)8-10-17/h4-6H,3,7-11H2,1-2H3,(H,14,15)
InChIKeyDTNZVZRWIXDXOD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.26
Rot. Bonds4

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

N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 79243422) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID79243422
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCCNc1cccc(CN2CCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-3-14-13-6-4-5-12(15-13)11-17-9-7-16(2)8-10-17/h4-6H,3,7-11H2,1-2H3,(H,14,15)
InChIKeyDTNZVZRWIXDXOD-UHFFFAOYSA-N
XLogP1.26
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine (CID 79243422) is N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine is CCNc1cccc(CN2CCN(C)CC2)n1.
What is the InChIKey of N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is DTNZVZRWIXDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-14-13-6-4-5-12(15-13)11-17-9-7-16(2)8-10-17/h4-6H,3,7-11H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine?
N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79243422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).