3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine

C15H21N3O — CID 81050849

IUPAC3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine
SMILESCc1cc(N(C)Cc2ccc(C)o2)c(CN)c(C)n1
InChIInChI=1S/C15H21N3O/c1-10-7-15(14(8-16)12(3)17-10)18(4)9-13-6-5-11(2)19-13/h5-7H,8-9,16H2,1-4H3
InChIKeyNMQCWDKXKNXGLG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.69
Rot. Bonds4

About 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine

3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine (PubChem CID 81050849) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine
PubChem CID81050849
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine
SMILESCc1cc(N(C)Cc2ccc(C)o2)c(CN)c(C)n1
InChIInChI=1S/C15H21N3O/c1-10-7-15(14(8-16)12(3)17-10)18(4)9-13-6-5-11(2)19-13/h5-7H,8-9,16H2,1-4H3
InChIKeyNMQCWDKXKNXGLG-UHFFFAOYSA-N
XLogP2.69
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine (CID 81050849) is 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine is Cc1cc(N(C)Cc2ccc(C)o2)c(CN)c(C)n1.
What is the InChIKey of 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine?
The InChIKey is NMQCWDKXKNXGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-7-15(14(8-16)12(3)17-10)18(4)9-13-6-5-11(2)19-13/h5-7H,8-9,16H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine?
3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 81050849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).