2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile

C10H14N4 — CID 62688655

IUPAC2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N(C)CCN)n1
InChIInChI=1S/C10H14N4/c1-8-3-4-9(7-12)10(13-8)14(2)6-5-11/h3-4H,5-6,11H2,1-2H3
InChIKeyIOHYQBCEPUKZSQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.66
Rot. Bonds3

About 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile

2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile (PubChem CID 62688655) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile
PubChem CID62688655
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N(C)CCN)n1
InChIInChI=1S/C10H14N4/c1-8-3-4-9(7-12)10(13-8)14(2)6-5-11/h3-4H,5-6,11H2,1-2H3
InChIKeyIOHYQBCEPUKZSQ-UHFFFAOYSA-N
XLogP0.66
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile (CID 62688655) is 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N(C)CCN)n1.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is IOHYQBCEPUKZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8-3-4-9(7-12)10(13-8)14(2)6-5-11/h3-4H,5-6,11H2,1-2H3.
What are the key properties of 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile?
2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 62688655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).