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

C10H19N3 — CID 114704468

IUPAC1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1CC(C)(C)C
InChIInChI=1S/C10H19N3/c1-8(11)9-5-12-7-13(9)6-10(2,3)4/h5,7-8H,6,11H2,1-4H3
InChIKeyOWAREIMHANNOFP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds2

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

1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine (PubChem CID 114704468) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
PubChem CID114704468
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1CC(C)(C)C
InChIInChI=1S/C10H19N3/c1-8(11)9-5-12-7-13(9)6-10(2,3)4/h5,7-8H,6,11H2,1-4H3
InChIKeyOWAREIMHANNOFP-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114707509
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide
CID 106278142
(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine
CID 104985229
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
(1S)-1-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
CID 106433539
1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
CID 114707019
(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
CID 104941998

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine (CID 114704468) is 1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine is CC(N)c1cncn1CC(C)(C)C.
What is the InChIKey of 1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine?
The InChIKey is OWAREIMHANNOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(11)9-5-12-7-13(9)6-10(2,3)4/h5,7-8H,6,11H2,1-4H3.
What are the key properties of 1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine?
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114704468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).