N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine

C15H19N3 — CID 62351103

IUPACN-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ncn(-c2ccc(CNC3CC3)cc2)c1C
InChIInChI=1S/C15H19N3/c1-11-12(2)18(10-17-11)15-7-3-13(4-8-15)9-16-14-5-6-14/h3-4,7-8,10,14,16H,5-6,9H2,1-2H3
InChIKeyZSNZPRUKGJEVCZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.74
Rot. Bonds4

About N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 62351103) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID62351103
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ncn(-c2ccc(CNC3CC3)cc2)c1C
InChIInChI=1S/C15H19N3/c1-11-12(2)18(10-17-11)15-7-3-13(4-8-15)9-16-14-5-6-14/h3-4,7-8,10,14,16H,5-6,9H2,1-2H3
InChIKeyZSNZPRUKGJEVCZ-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62447884
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
CID 17446168
N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114927421
N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62351327
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 105410060
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[[4-(triazol-2-yl)phenyl]methyl]cycloheptanamine
CID 10730786
N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62440828

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine (CID 62351103) is N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine is Cc1ncn(-c2ccc(CNC3CC3)cc2)c1C.
What is the InChIKey of N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is ZSNZPRUKGJEVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-12(2)18(10-17-11)15-7-3-13(4-8-15)9-16-14-5-6-14/h3-4,7-8,10,14,16H,5-6,9H2,1-2H3.
What are the key properties of N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 241.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62351103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).