2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine

C13H17N3O — CID 113447401

IUPAC2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine
SMILESCc1ccc(CN(C)Cc2ncccc2N)o1
InChIInChI=1S/C13H17N3O/c1-10-5-6-11(17-10)8-16(2)9-13-12(14)4-3-7-15-13/h3-7H,8-9,14H2,1-2H3
InChIKeyQSFRVFYYWJNYAH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.20
Rot. Bonds4

About 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine

2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine (PubChem CID 113447401) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine
PubChem CID113447401
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine
SMILESCc1ccc(CN(C)Cc2ncccc2N)o1
InChIInChI=1S/C13H17N3O/c1-10-5-6-11(17-10)8-16(2)9-13-12(14)4-3-7-15-13/h3-7H,8-9,14H2,1-2H3
InChIKeyQSFRVFYYWJNYAH-UHFFFAOYSA-N
XLogP2.20
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 43526030
[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63887253
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine
CID 104739891
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine
CID 113447468
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447418
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridin-3-amine
CID 105421264
1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65458193
4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 43526308
3-fluoro-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 64768655
2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine
CID 104740240

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine (CID 113447401) is 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine is Cc1ccc(CN(C)Cc2ncccc2N)o1.
What is the InChIKey of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine?
The InChIKey is QSFRVFYYWJNYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-5-6-11(17-10)8-16(2)9-13-12(14)4-3-7-15-13/h3-7H,8-9,14H2,1-2H3.
What are the key properties of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine?
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine is sourced from PubChem (CID 113447401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).