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

C10H19N3 — CID 104941998

IUPAC(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
SMILESCCC(C)(C)n1cncc1[C@@H](C)N
InChIInChI=1S/C10H19N3/c1-5-10(3,4)13-7-12-6-9(13)8(2)11/h6-8H,5,11H2,1-4H3/t8-/m1/s1
InChIKeyYMLLYPCNIVIDTL-MRVPVSSYSA-N
MW181.28 g/mol
LogP2.05
Rot. Bonds3

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

(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine (PubChem CID 104941998) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
PubChem CID104941998
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
SMILESCCC(C)(C)n1cncc1[C@@H](C)N
InChIInChI=1S/C10H19N3/c1-5-10(3,4)13-7-12-6-9(13)8(2)11/h6-8H,5,11H2,1-4H3/t8-/m1/s1
InChIKeyYMLLYPCNIVIDTL-MRVPVSSYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717319
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
1-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707351
2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
CID 83876291
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine
CID 104985229
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114707509
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide
CID 106278142

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine (CID 104941998) is (1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine is CCC(C)(C)n1cncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine?
The InChIKey is YMLLYPCNIVIDTL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-10(3,4)13-7-12-6-9(13)8(2)11/h6-8H,5,11H2,1-4H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104941998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).