3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol

C14H27N3O — CID 65337512

IUPAC3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
SMILESCC(NC(Cn1ccnc1)C(C)(C)C)C(C)(C)O
InChIInChI=1S/C14H27N3O/c1-11(14(5,6)18)16-12(13(2,3)4)9-17-8-7-15-10-17/h7-8,10-12,16,18H,9H2,1-6H3
InChIKeyHSRLCFRTKHWUQJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.05
Rot. Bonds5

About 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol

3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol (PubChem CID 65337512) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
PubChem CID65337512
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
SMILESCC(NC(Cn1ccnc1)C(C)(C)C)C(C)(C)O
InChIInChI=1S/C14H27N3O/c1-11(14(5,6)18)16-12(13(2,3)4)9-17-8-7-15-10-17/h7-8,10-12,16,18H,9H2,1-6H3
InChIKeyHSRLCFRTKHWUQJ-UHFFFAOYSA-N
XLogP2.05
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-5-methylhexan-2-amine
CID 43749519
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
1-imidazol-1-yl-N-[1-(4-iodophenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 43791898
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936

Frequently Asked Questions

What is the IUPAC name of 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol (CID 65337512) is 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol is CC(NC(Cn1ccnc1)C(C)(C)C)C(C)(C)O.
What is the InChIKey of 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol?
The InChIKey is HSRLCFRTKHWUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(14(5,6)18)16-12(13(2,3)4)9-17-8-7-15-10-17/h7-8,10-12,16,18H,9H2,1-6H3.
What are the key properties of 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol?
3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).