5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine

C15H21N3O — CID 80634374

IUPAC5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(C)Cc1ccoc1
InChIInChI=1S/C15H21N3O/c1-11-6-14(7-12(2)16)8-17-15(11)18(3)9-13-4-5-19-10-13/h4-6,8,10,12H,7,9,16H2,1-3H3
InChIKeyYRPLUTDGXASZAW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.51
Rot. Bonds5

About 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine

5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine (PubChem CID 80634374) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine
PubChem CID80634374
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(C)Cc1ccoc1
InChIInChI=1S/C15H21N3O/c1-11-6-14(7-12(2)16)8-17-15(11)18(3)9-13-4-5-19-10-13/h4-6,8,10,12H,7,9,16H2,1-3H3
InChIKeyYRPLUTDGXASZAW-UHFFFAOYSA-N
XLogP2.51
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine (CID 80634374) is 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine is Cc1cc(CC(C)N)cnc1N(C)Cc1ccoc1.
What is the InChIKey of 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine?
The InChIKey is YRPLUTDGXASZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-6-14(7-12(2)16)8-17-15(11)18(3)9-13-4-5-19-10-13/h4-6,8,10,12H,7,9,16H2,1-3H3.
What are the key properties of 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine?
5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80634374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).