4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine

C16H25N5 — CID 63026010

IUPAC4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCN(Cc1nccn1C)c1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C16H25N5/c1-16(2,3)19-11-13-6-7-17-14(10-13)21(5)12-15-18-8-9-20(15)4/h6-10,19H,11-12H2,1-5H3
InChIKeyJXMXYTLUWUFKCA-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.34
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine

4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (PubChem CID 63026010) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
PubChem CID63026010
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCN(Cc1nccn1C)c1cc(CNC(C)(C)C)ccn1
InChIInChI=1S/C16H25N5/c1-16(2,3)19-11-13-6-7-17-14(10-13)21(5)12-15-18-8-9-20(15)4/h6-10,19H,11-12H2,1-5H3
InChIKeyJXMXYTLUWUFKCA-UHFFFAOYSA-N
XLogP2.34
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024642
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63024829
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 63657128
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63026393
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine
CID 62279317
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80831186
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114528934
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (CID 63026010) is 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is CN(Cc1nccn1C)c1cc(CNC(C)(C)C)ccn1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is JXMXYTLUWUFKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-16(2,3)19-11-13-6-7-17-14(10-13)21(5)12-15-18-8-9-20(15)4/h6-10,19H,11-12H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63026010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).