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

C15H21N3O — CID 61426321

IUPAC3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(C)c(CN)c(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C15H21N3O/c1-10-7-11(2)17-15(14(10)8-16)18(4)9-13-5-6-19-12(13)3/h5-7H,8-9,16H2,1-4H3
InChIKeyBVSHYMPFIZDMPB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.69
Rot. Bonds4

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

3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine (PubChem CID 61426321) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
PubChem CID61426321
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(C)c(CN)c(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C15H21N3O/c1-10-7-11(2)17-15(14(10)8-16)18(4)9-13-5-6-19-12(13)3/h5-7H,8-9,16H2,1-4H3
InChIKeyBVSHYMPFIZDMPB-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,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine (CID 61426321) is 3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine is Cc1cc(C)c(CN)c(N(C)Cc2ccoc2C)n1.
What is the InChIKey of 3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine?
The InChIKey is BVSHYMPFIZDMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-7-11(2)17-15(14(10)8-16)18(4)9-13-5-6-19-12(13)3/h5-7H,8-9,16H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine?
3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-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,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 61426321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).