3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol

C10H19N3O — CID 115360823

IUPAC3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCCn1ccnc1NCC(C)(C)CO
InChIInChI=1S/C10H19N3O/c1-4-13-6-5-11-9(13)12-7-10(2,3)8-14/h5-6,14H,4,7-8H2,1-3H3,(H,11,12)
InChIKeyXBIWEHURQPWHCK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds5

About 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol

3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115360823) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115360823
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCCn1ccnc1NCC(C)(C)CO
InChIInChI=1S/C10H19N3O/c1-4-13-6-5-11-9(13)12-7-10(2,3)8-14/h5-6,14H,4,7-8H2,1-3H3,(H,11,12)
InChIKeyXBIWEHURQPWHCK-UHFFFAOYSA-N
XLogP1.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142947
3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278377
2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine
CID 106251952
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
CID 106842674
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
1-ethyl-N-octylimidazol-2-amine
CID 115568972
2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
CID 62139157
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
N-(2-chloro-4,4-dimethylpentyl)-1-ethylimidazol-2-amine
CID 107156123
1-[[(1-ethylimidazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 65110887
N-(1-ethylimidazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 62138038
1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106583506

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol (CID 115360823) is 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol is CCn1ccnc1NCC(C)(C)CO.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is XBIWEHURQPWHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-13-6-5-11-9(13)12-7-10(2,3)8-14/h5-6,14H,4,7-8H2,1-3H3,(H,11,12).
What are the key properties of 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115360823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).