[1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine

C14H19N3 — CID 117331102

IUPAC[1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccccc2N2C=NCC2)CCC1
InChIInChI=1S/C14H19N3/c15-10-14(6-3-7-14)12-4-1-2-5-13(12)17-9-8-16-11-17/h1-2,4-5,11H,3,6-10,15H2
InChIKeyHKVVPMVLOHKIGM-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.92
Rot. Bonds3

About [1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine

[1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine (PubChem CID 117331102) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
PubChem CID117331102
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccccc2N2C=NCC2)CCC1
InChIInChI=1S/C14H19N3/c15-10-14(6-3-7-14)12-4-1-2-5-13(12)17-9-8-16-11-17/h1-2,4-5,11H,3,6-10,15H2
InChIKeyHKVVPMVLOHKIGM-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-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentan-1-amine
CID 117331093
[1-(2-piperidin-1-ylphenyl)cyclobutyl]methanamine
CID 117363360
[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
CID 117331103
[1-(2-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 82614208
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one
CID 117402473
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione
CID 117463810
[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopropyl]methanamine
CID 117307056
1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione
CID 117485626
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione
CID 117436012
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine (CID 117331102) is [1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine is NCC1(c2ccccc2N2C=NCC2)CCC1.
What is the InChIKey of [1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine?
The InChIKey is HKVVPMVLOHKIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-10-14(6-3-7-14)12-4-1-2-5-13(12)17-9-8-16-11-17/h1-2,4-5,11H,3,6-10,15H2.
What are the key properties of [1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine?
[1-[2-(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-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117331102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).