N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine

C11H21N3 — CID 62565072

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1cnc(C)c1C
InChIInChI=1S/C11H21N3/c1-5-9(2)12-6-7-14-8-13-10(3)11(14)4/h8-9,12H,5-7H2,1-4H3
InChIKeySKNTYORXHCXQRU-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine (PubChem CID 62565072) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine
PubChem CID62565072
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCn1cnc(C)c1C
InChIInChI=1S/C11H21N3/c1-5-9(2)12-6-7-14-8-13-10(3)11(14)4/h8-9,12H,5-7H2,1-4H3
InChIKeySKNTYORXHCXQRU-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine (CID 62565072) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine is CCC(C)NCCn1cnc(C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine?
The InChIKey is SKNTYORXHCXQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-9(2)12-6-7-14-8-13-10(3)11(14)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 62565072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).