N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine

C11H19N3 — CID 81004641

IUPACN-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1n1ccnc1C
InChIInChI=1S/C11H19N3/c1-3-12-8-10-4-5-11(10)14-7-6-13-9(14)2/h6-7,10-12H,3-5,8H2,1-2H3
InChIKeyCOYWADQMQHWFOO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.75
Rot. Bonds4

About N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine

N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine (PubChem CID 81004641) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine
PubChem CID81004641
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1n1ccnc1C
InChIInChI=1S/C11H19N3/c1-3-12-8-10-4-5-11(10)14-7-6-13-9(14)2/h6-7,10-12H,3-5,8H2,1-2H3
InChIKeyCOYWADQMQHWFOO-UHFFFAOYSA-N
XLogP1.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,5R)-2-amino-5-(2-methylimidazol-1-yl)cyclopentan-1-ol
CID 175662595
[2-(2-methylimidazol-1-yl)cyclopropyl]methanol
CID 130710634
(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol
CID 126846257
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81030073
N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81025079
N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine
CID 80998653
N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 81004556
N-[[2-(2-methylpiperidin-1-yl)cyclobutyl]methyl]ethanamine
CID 81000100
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]ethanamine
CID 66523440
4-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 131883405
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80999923

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine (CID 81004641) is N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine is CCNCC1CCC1n1ccnc1C.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine?
The InChIKey is COYWADQMQHWFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-12-8-10-4-5-11(10)14-7-6-13-9(14)2/h6-7,10-12H,3-5,8H2,1-2H3.
What are the key properties of N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine?
N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81004641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).