3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol

C11H21N3O — CID 123949701

IUPAC3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol
SMILESCCN(Cc1cnc[nH]1)CC(C)(C)CO
InChIInChI=1S/C11H21N3O/c1-4-14(7-11(2,3)8-15)6-10-5-12-9-13-10/h5,9,15H,4,6-8H2,1-3H3,(H,12,13)
InChIKeyOCTFOBRWLABMFX-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.25
Rot. Bonds6

About 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol

3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 123949701) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol
PubChem CID123949701
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol
SMILESCCN(Cc1cnc[nH]1)CC(C)(C)CO
InChIInChI=1S/C11H21N3O/c1-4-14(7-11(2,3)8-15)6-10-5-12-9-13-10/h5,9,15H,4,6-8H2,1-3H3,(H,12,13)
InChIKeyOCTFOBRWLABMFX-UHFFFAOYSA-N
XLogP1.25
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol (CID 123949701) is 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol is CCN(Cc1cnc[nH]1)CC(C)(C)CO.
What is the InChIKey of 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is OCTFOBRWLABMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-14(7-11(2,3)8-15)6-10-5-12-9-13-10/h5,9,15H,4,6-8H2,1-3H3,(H,12,13).
What are the key properties of 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol?
3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1H-imidazol-5-ylmethyl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 123949701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).