N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine

C11H20ClN3 — CID 115756655

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCc1ncc(Cl)n1C
InChIInChI=1S/C11H20ClN3/c1-4-9(5-2)6-13-8-11-14-7-10(12)15(11)3/h7,9,13H,4-6,8H2,1-3H3
InChIKeyVXMHHYHEKARGIM-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.60
Rot. Bonds6

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine (PubChem CID 115756655) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine
PubChem CID115756655
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCc1ncc(Cl)n1C
InChIInChI=1S/C11H20ClN3/c1-4-9(5-2)6-13-8-11-14-7-10(12)15(11)3/h7,9,13H,4-6,8H2,1-3H3
InChIKeyVXMHHYHEKARGIM-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-3-ethylpentan-2-ol
CID 114168345
N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088151
N-[(5-chloro-1-methylimidazol-2-yl)methyl]butan-1-amine
CID 43088016
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethoxyethanamine
CID 43591015
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 115607872
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide
CID 43401730
1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine
CID 60702467
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutan-1-amine
CID 115756634
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43088251
5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 106130407
1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol
CID 106292432
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222511

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine (CID 115756655) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine is CCC(CC)CNCc1ncc(Cl)n1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine?
The InChIKey is VXMHHYHEKARGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-4-9(5-2)6-13-8-11-14-7-10(12)15(11)3/h7,9,13H,4-6,8H2,1-3H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine has a molecular weight of 229.75 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 115756655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).