(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine

C11H21N3 — CID 104943294

IUPAC(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
SMILESCC(C)C(C)Cn1cncc1[C@@H](C)N
InChIInChI=1S/C11H21N3/c1-8(2)9(3)6-14-7-13-5-11(14)10(4)12/h5,7-10H,6,12H2,1-4H3/t9?,10-/m1/s1
InChIKeyIDLJJZXBWGZBRO-QVDQXJPCSA-N
MW195.31 g/mol
LogP2.19
Rot. Bonds4

About (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine (PubChem CID 104943294) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
PubChem CID104943294
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
SMILESCC(C)C(C)Cn1cncc1[C@@H](C)N
InChIInChI=1S/C11H21N3/c1-8(2)9(3)6-14-7-13-5-11(14)10(4)12/h5,7-10H,6,12H2,1-4H3/t9?,10-/m1/s1
InChIKeyIDLJJZXBWGZBRO-QVDQXJPCSA-N
XLogP2.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
(1S)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethanamine
CID 104943749
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole
CID 66149387
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
CID 102909113
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891
(1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine
CID 104943939

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine (CID 104943294) is (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine is CC(C)C(C)Cn1cncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine?
The InChIKey is IDLJJZXBWGZBRO-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)9(3)6-14-7-13-5-11(14)10(4)12/h5,7-10H,6,12H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).