N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine

C17H23N3 — CID 61211081

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCc3nccn3C)C2)c1
InChIInChI=1S/C17H23N3/c1-13-4-3-5-14(10-13)15-11-16(12-15)18-7-6-17-19-8-9-20(17)2/h3-5,8-10,15-16,18H,6-7,11-12H2,1-2H3
InChIKeyXQENCHSRUZFGSY-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 61211081) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID61211081
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCc3nccn3C)C2)c1
InChIInChI=1S/C17H23N3/c1-13-4-3-5-14(10-13)15-11-16(12-15)18-7-6-17-19-8-9-20(17)2/h3-5,8-10,15-16,18H,6-7,11-12H2,1-2H3
InChIKeyXQENCHSRUZFGSY-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 61211079
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 106395110
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305425
3-(3-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64518980
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine (CID 61211081) is N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine is Cc1cccc(C2CC(NCCc3nccn3C)C2)c1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is XQENCHSRUZFGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-4-3-5-14(10-13)15-11-16(12-15)18-7-6-17-19-8-9-20(17)2/h3-5,8-10,15-16,18H,6-7,11-12H2,1-2H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 61211081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).