5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine

C17H25N3O — CID 81249115

IUPAC5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine
SMILESCc1cc(N(C)Cc2ccoc2)c(CNC(C)(C)C)cn1
InChIInChI=1S/C17H25N3O/c1-13-8-16(20(5)11-14-6-7-21-12-14)15(9-18-13)10-19-17(2,3)4/h6-9,12,19H,10-11H2,1-5H3
InChIKeyZGKRDLADFKQFDU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.51
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine

5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine (PubChem CID 81249115) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine
PubChem CID81249115
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine
SMILESCc1cc(N(C)Cc2ccoc2)c(CNC(C)(C)C)cn1
InChIInChI=1S/C17H25N3O/c1-13-8-16(20(5)11-14-6-7-21-12-14)15(9-18-13)10-19-17(2,3)4/h6-9,12,19H,10-11H2,1-5H3
InChIKeyZGKRDLADFKQFDU-UHFFFAOYSA-N
XLogP3.51
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline
CID 62121037
N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073490
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62461132
N-(2,2-dimethylpropyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81246388
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248386
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81250095
N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630765
N-(furan-3-ylmethyl)-N,2-dimethyl-5-propylpyrimidin-4-amine
CID 135112400
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
[2-[furan-3-ylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184280
5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81250101
N,2-dimethyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 81249931

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine (CID 81249115) is 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine is Cc1cc(N(C)Cc2ccoc2)c(CNC(C)(C)C)cn1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine?
The InChIKey is ZGKRDLADFKQFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-8-16(20(5)11-14-6-7-21-12-14)15(9-18-13)10-19-17(2,3)4/h6-9,12,19H,10-11H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine?
5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine is sourced from PubChem (CID 81249115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).