5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine

C8H14N3+ — CID 140929536

IUPAC5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine
SMILESCc1cc(N)[nH+]c(C)c1CN
InChIInChI=1S/C8H13N3/c1-5-3-8(10)11-6(2)7(5)4-9/h3H,4,9H2,1-2H3,(H2,10,11)/p+1
InChIKeyBSEXLDBVQJQABI-UHFFFAOYSA-O
MW152.22 g/mol
LogP0.16
Rot. Bonds1

About 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine

5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine (PubChem CID 140929536) has the molecular formula C8H14N3+ and a molecular weight of 152.22 g/mol. Its IUPAC name is 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine
PubChem CID140929536
Molecular FormulaC8H14N3+
Molecular Weight152.22 g/mol
Exact Mass152.12
IUPAC Name5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine
SMILESCc1cc(N)[nH+]c(C)c1CN
InChIInChI=1S/C8H13N3/c1-5-3-8(10)11-6(2)7(5)4-9/h3H,4,9H2,1-2H3,(H2,10,11)/p+1
InChIKeyBSEXLDBVQJQABI-UHFFFAOYSA-O
XLogP0.16
TPSA66.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine?
The IUPAC name of 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine (CID 140929536) is 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine?
The canonical SMILES for 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine is Cc1cc(N)[nH+]c(C)c1CN.
What is the InChIKey of 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine?
The InChIKey is BSEXLDBVQJQABI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3/c1-5-3-8(10)11-6(2)7(5)4-9/h3H,4,9H2,1-2H3,(H2,10,11)/p+1.
What are the key properties of 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine?
5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine has a molecular weight of 152.22 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4,6-dimethylpyridin-1-ium-2-amine is sourced from PubChem (CID 140929536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).