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

C17H24N4 — CID 62283984

IUPAC3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccncc1)c1ncccc1CNC(C)(C)C
InChIInChI=1S/C17H24N4/c1-17(2,3)20-12-15-6-5-9-19-16(15)21(4)13-14-7-10-18-11-8-14/h5-11,20H,12-13H2,1-4H3
InChIKeyNTXKMWZARRUIHS-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.00
Rot. Bonds5

About 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine

3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 62283984) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID62283984
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccncc1)c1ncccc1CNC(C)(C)C
InChIInChI=1S/C17H24N4/c1-17(2,3)20-12-15-6-5-9-19-16(15)21(4)13-14-7-10-18-11-8-14/h5-11,20H,12-13H2,1-4H3
InChIKeyNTXKMWZARRUIHS-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

3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62294438
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62294058
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
3-(ethylaminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62288170
3-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278909
3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61413458
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 62283984) is 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine is CN(Cc1ccncc1)c1ncccc1CNC(C)(C)C.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is NTXKMWZARRUIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(2,3)20-12-15-6-5-9-19-16(15)21(4)13-14-7-10-18-11-8-14/h5-11,20H,12-13H2,1-4H3.
What are the key properties of 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-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 3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62283984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).