[3-(2-ethylhexyl)imidazol-4-yl]methanamine

C12H23N3 — CID 107818806

IUPAC[3-(2-ethylhexyl)imidazol-4-yl]methanamine
SMILESCCCCC(CC)Cn1cncc1CN
InChIInChI=1S/C12H23N3/c1-3-5-6-11(4-2)9-15-10-14-8-12(15)7-13/h8,10-11H,3-7,9,13H2,1-2H3
InChIKeyUZAGRTWJMFNJIR-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.56
Rot. Bonds7

About [3-(2-ethylhexyl)imidazol-4-yl]methanamine

[3-(2-ethylhexyl)imidazol-4-yl]methanamine (PubChem CID 107818806) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is [3-(2-ethylhexyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylhexyl)imidazol-4-yl]methanamine
PubChem CID107818806
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name[3-(2-ethylhexyl)imidazol-4-yl]methanamine
SMILESCCCCC(CC)Cn1cncc1CN
InChIInChI=1S/C12H23N3/c1-3-5-6-11(4-2)9-15-10-14-8-12(15)7-13/h8,10-11H,3-7,9,13H2,1-2H3
InChIKeyUZAGRTWJMFNJIR-UHFFFAOYSA-N
XLogP2.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
CID 107819458
[3-(2-methoxypropyl)imidazol-4-yl]methanamine
CID 102701711
1-(2-ethylhexyl)-1,2,4-triazole
CID 63811004
[1-(2-ethylhexyl)pyrrol-2-yl]methanol
CID 66397815
1-(2-ethylhexyl)imidazole-2-carboxamide
CID 70128665
[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
CID 106009318
1-(2-ethylhexyl)-3-hydroxypyridin-2-one
CID 151678015
1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
CID 62729711
[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637916
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891
4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66150121

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylhexyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(2-ethylhexyl)imidazol-4-yl]methanamine (CID 107818806) is [3-(2-ethylhexyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-ethylhexyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(2-ethylhexyl)imidazol-4-yl]methanamine is CCCCC(CC)Cn1cncc1CN.
What is the InChIKey of [3-(2-ethylhexyl)imidazol-4-yl]methanamine?
The InChIKey is UZAGRTWJMFNJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-5-6-11(4-2)9-15-10-14-8-12(15)7-13/h8,10-11H,3-7,9,13H2,1-2H3.
What are the key properties of [3-(2-ethylhexyl)imidazol-4-yl]methanamine?
[3-(2-ethylhexyl)imidazol-4-yl]methanamine has a molecular weight of 209.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylhexyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 107818806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).