6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine

C15H21N3O — CID 112584270

IUPAC6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
SMILESCCC(N)c1ccc(N(C)Cc2ccoc2C)cn1
InChIInChI=1S/C15H21N3O/c1-4-14(16)15-6-5-13(9-17-15)18(3)10-12-7-8-19-11(12)2/h5-9,14H,4,10,16H2,1-3H3
InChIKeyRCRDEYMUYOLJAK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.03
Rot. Bonds5

About 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine

6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine (PubChem CID 112584270) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
PubChem CID112584270
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
SMILESCCC(N)c1ccc(N(C)Cc2ccoc2C)cn1
InChIInChI=1S/C15H21N3O/c1-4-14(16)15-6-5-13(9-17-15)18(3)10-12-7-8-19-11(12)2/h5-9,14H,4,10,16H2,1-3H3
InChIKeyRCRDEYMUYOLJAK-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine (CID 112584270) is 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine is CCC(N)c1ccc(N(C)Cc2ccoc2C)cn1.
What is the InChIKey of 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine?
The InChIKey is RCRDEYMUYOLJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-14(16)15-6-5-13(9-17-15)18(3)10-12-7-8-19-11(12)2/h5-9,14H,4,10,16H2,1-3H3.
What are the key properties of 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine?
6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine has a molecular weight of 259.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 112584270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).