[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine

C14H19N3 — CID 117331103

IUPAC[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cccc(N3C=NCC3)c2)CCC1
InChIInChI=1S/C14H19N3/c15-10-14(5-2-6-14)12-3-1-4-13(9-12)17-8-7-16-11-17/h1,3-4,9,11H,2,5-8,10,15H2
InChIKeyNIFZRDJXTXEMSE-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.92
Rot. Bonds3

About [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine

[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine (PubChem CID 117331103) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
PubChem CID117331103
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cccc(N3C=NCC3)c2)CCC1
InChIInChI=1S/C14H19N3/c15-10-14(5-2-6-14)12-3-1-4-13(9-12)17-8-7-16-11-17/h1,3-4,9,11H,2,5-8,10,15H2
InChIKeyNIFZRDJXTXEMSE-UHFFFAOYSA-N
XLogP1.92
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopropyl]methanamine
CID 117307056
[1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
CID 117331102
1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117399453
3-[3-(4,5-dihydroimidazol-1-yl)phenyl]propanal
CID 117290888
O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine
CID 117293696
[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine
CID 117394631
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485623
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]piperazine-2,3-dione
CID 117485632
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine (CID 117331103) is [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine is NCC1(c2cccc(N3C=NCC3)c2)CCC1.
What is the InChIKey of [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine?
The InChIKey is NIFZRDJXTXEMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-10-14(5-2-6-14)12-3-1-4-13(9-12)17-8-7-16-11-17/h1,3-4,9,11H,2,5-8,10,15H2.
What are the key properties of [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine?
[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117331103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).