4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine

C13H17N3O — CID 115147478

IUPAC4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1ccc(CCNc2cc(C)c(N)cn2)o1
InChIInChI=1S/C13H17N3O/c1-9-7-13(16-8-12(9)14)15-6-5-11-4-3-10(2)17-11/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyJGPXYGVRQBVHPB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.53
Rot. Bonds4

About 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine

4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 115147478) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID115147478
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1ccc(CCNc2cc(C)c(N)cn2)o1
InChIInChI=1S/C13H17N3O/c1-9-7-13(16-8-12(9)14)15-6-5-11-4-3-10(2)17-11/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyJGPXYGVRQBVHPB-UHFFFAOYSA-N
XLogP2.53
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine (CID 115147478) is 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine is Cc1ccc(CCNc2cc(C)c(N)cn2)o1.
What is the InChIKey of 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is JGPXYGVRQBVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-7-13(16-8-12(9)14)15-6-5-11-4-3-10(2)17-11/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine?
4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 231.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 115147478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).