3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol

C13H25N3O — CID 106348886

IUPAC3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCCn1cncc1CNC(CCO)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-5-16-10-14-8-11(16)9-15-12(6-7-17)13(2,3)4/h8,10,12,15,17H,5-7,9H2,1-4H3
InChIKeyMFRANGVDVOWESP-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds6

About 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol

3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 106348886) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID106348886
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCCn1cncc1CNC(CCO)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-5-16-10-14-8-11(16)9-15-12(6-7-17)13(2,3)4/h8,10,12,15,17H,5-7,9H2,1-4H3
InChIKeyMFRANGVDVOWESP-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 66135456
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 66134625
3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol
CID 66168390
tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate
CID 107248116
N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 66132621
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
CID 66117372
3-[(1-butan-2-ylpyrazol-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349604
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol (CID 106348886) is 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol is CCn1cncc1CNC(CCO)C(C)(C)C.
What is the InChIKey of 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is MFRANGVDVOWESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-16-10-14-8-11(16)9-15-12(6-7-17)13(2,3)4/h8,10,12,15,17H,5-7,9H2,1-4H3.
What are the key properties of 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol?
3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106348886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).