N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C15H22N4 — CID 55062947

IUPACN-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1ncn(-c2cccc(CNC(C)(C)C)n2)c1C
InChIInChI=1S/C15H22N4/c1-11-12(2)19(10-16-11)14-8-6-7-13(18-14)9-17-15(3,4)5/h6-8,10,17H,9H2,1-5H3
InChIKeyYZDHKQGFKFUKBL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.77
Rot. Bonds3

About N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 55062947) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID55062947
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1ncn(-c2cccc(CNC(C)(C)C)n2)c1C
InChIInChI=1S/C15H22N4/c1-11-12(2)19(10-16-11)14-8-6-7-13(18-14)9-17-15(3,4)5/h6-8,10,17H,9H2,1-5H3
InChIKeyYZDHKQGFKFUKBL-UHFFFAOYSA-N
XLogP2.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 55062947) is N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1ncn(-c2cccc(CNC(C)(C)C)n2)c1C.
What is the InChIKey of N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YZDHKQGFKFUKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-12(2)19(10-16-11)14-8-6-7-13(18-14)9-17-15(3,4)5/h6-8,10,17H,9H2,1-5H3.
What are the key properties of N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4,5-dimethylimidazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55062947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).