N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine

C15H19N3 — CID 63943468

IUPACN-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ncn(-c2cccc(CNC3CC3)c2)c1C
InChIInChI=1S/C15H19N3/c1-11-12(2)18(10-17-11)15-5-3-4-13(8-15)9-16-14-6-7-14/h3-5,8,10,14,16H,6-7,9H2,1-2H3
InChIKeyLSQIDKXPCHTKBP-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.74
Rot. Bonds4

About N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 63943468) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID63943468
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ncn(-c2cccc(CNC3CC3)c2)c1C
InChIInChI=1S/C15H19N3/c1-11-12(2)18(10-17-11)15-5-3-4-13(8-15)9-16-14-6-7-14/h3-5,8,10,14,16H,6-7,9H2,1-2H3
InChIKeyLSQIDKXPCHTKBP-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-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62351103
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62440828
N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913509
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
CID 63942141
N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913534
N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
CID 173207768
1-(3-chlorophenyl)-4,5-dimethylimidazole
CID 125478648
N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62351327
N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114927421
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine (CID 63943468) is N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine is Cc1ncn(-c2cccc(CNC3CC3)c2)c1C.
What is the InChIKey of N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is LSQIDKXPCHTKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-12(2)18(10-17-11)15-5-3-4-13(8-15)9-16-14-6-7-14/h3-5,8,10,14,16H,6-7,9H2,1-2H3.
What are the key properties of N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-(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-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63943468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).