N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine

C11H21N3 — CID 79985899

IUPACN-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine
SMILESCNCCc1cn(CCC(C)C)cn1
InChIInChI=1S/C11H21N3/c1-10(2)5-7-14-8-11(13-9-14)4-6-12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyAJTWUHPRXGDUKG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.69
Rot. Bonds6

About N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine

N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine (PubChem CID 79985899) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine
PubChem CID79985899
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine
SMILESCNCCc1cn(CCC(C)C)cn1
InChIInChI=1S/C11H21N3/c1-10(2)5-7-14-8-11(13-9-14)4-6-12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyAJTWUHPRXGDUKG-UHFFFAOYSA-N
XLogP1.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[1-(2-propan-2-yloxyethyl)imidazol-4-yl]ethanamine
CID 79985732
4-butyl-1-(3-methylbutyl)imidazole
CID 164535740
4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
CID 79985168
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 98014080
N-methyl-2-[1-(2-pyridin-4-ylethyl)imidazol-4-yl]ethanamine
CID 79985908
N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103014178
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
2-[1-(3-methylbutyl)imidazol-4-yl]acetic acid
CID 70036938
N-[2-[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985115
4-(3-methylbutyl)-1-(2-methylpropyl)imidazole
CID 159067201
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine (CID 79985899) is N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine is CNCCc1cn(CCC(C)C)cn1.
What is the InChIKey of N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine?
The InChIKey is AJTWUHPRXGDUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)5-7-14-8-11(13-9-14)4-6-12-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine?
N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine has a molecular weight of 195.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 79985899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).