4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine

C17H24N4 — CID 105073020

IUPAC4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
SMILESCN(Cc1cccnc1)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C17H24N4/c1-17(2,3)20-11-15-7-9-19-12-16(15)21(4)13-14-6-5-8-18-10-14/h5-10,12,20H,11,13H2,1-4H3
InChIKeyFDYBSFOBVJVBTQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.00
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine

4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine (PubChem CID 105073020) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
PubChem CID105073020
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
SMILESCN(Cc1cccnc1)c1cnccc1CNC(C)(C)C
InChIInChI=1S/C17H24N4/c1-17(2,3)20-11-15-7-9-19-12-16(15)21(4)13-14-6-5-8-18-10-14/h5-10,12,20H,11,13H2,1-4H3
InChIKeyFDYBSFOBVJVBTQ-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-4-[(tert-butylamino)methyl]-N-methylpyridin-3-amine
CID 105073535
N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 105073949
4-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 105072928
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62283984
N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073225
N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
CID 105067251
N,N-dibutyl-4-[(tert-butylamino)methyl]pyridin-3-amine
CID 105072835
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine (CID 105073020) is 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine is CN(Cc1cccnc1)c1cnccc1CNC(C)(C)C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine?
The InChIKey is FDYBSFOBVJVBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(2,3)20-11-15-7-9-19-12-16(15)21(4)13-14-6-5-8-18-10-14/h5-10,12,20H,11,13H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine?
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine has a molecular weight of 284.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 105073020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).