2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine

C17H25N3O — CID 62288315

IUPAC2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
SMILESCCN(Cc1ccco1)c1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-5-20(13-16-7-6-10-21-16)15-8-9-18-14(11-15)12-19-17(2,3)4/h6-11,19H,5,12-13H2,1-4H3
InChIKeyMXAXJWRVBSXIME-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.59
Rot. Bonds6

About 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine

2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine (PubChem CID 62288315) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
PubChem CID62288315
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
SMILESCCN(Cc1ccco1)c1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-5-20(13-16-7-6-10-21-16)15-8-9-18-14(11-15)12-19-17(2,3)4/h6-11,19H,5,12-13H2,1-4H3
InChIKeyMXAXJWRVBSXIME-UHFFFAOYSA-N
XLogP3.59
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62288133
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63060085
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62287774
2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 63488590
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline
CID 62424681
N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
CID 105389589
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
CID 80730860
N-ethyl-N-(furan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379760
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 102813620

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine (CID 62288315) is 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine is CCN(Cc1ccco1)c1ccnc(CNC(C)(C)C)c1.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine?
The InChIKey is MXAXJWRVBSXIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20(13-16-7-6-10-21-16)15-8-9-18-14(11-15)12-19-17(2,3)4/h6-11,19H,5,12-13H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine?
2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 62288315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).