N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine

C16H22N4 — CID 62351327

IUPACN-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(-n2cnc(C)c2C)n1
InChIInChI=1S/C16H22N4/c1-10-7-11(2)19-16(15(10)8-17-14-5-6-14)20-9-18-12(3)13(20)4/h7,9,14,17H,5-6,8H2,1-4H3
InChIKeyVUWIRTJMZTXFAA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.75
Rot. Bonds4

About N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine

N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62351327) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62351327
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(-n2cnc(C)c2C)n1
InChIInChI=1S/C16H22N4/c1-10-7-11(2)19-16(15(10)8-17-14-5-6-14)20-9-18-12(3)13(20)4/h7,9,14,17H,5-6,8H2,1-4H3
InChIKeyVUWIRTJMZTXFAA-UHFFFAOYSA-N
XLogP2.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine (CID 62351327) is N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(C)c(CNC2CC2)c(-n2cnc(C)c2C)n1.
What is the InChIKey of N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is VUWIRTJMZTXFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-10-7-11(2)19-16(15(10)8-17-14-5-6-14)20-9-18-12(3)13(20)4/h7,9,14,17H,5-6,8H2,1-4H3.
What are the key properties of N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 270.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62351327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).