2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol

C12H19N3O — CID 141424858

IUPAC2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol
SMILESCNC1C=C(n2ccnc2)C(O)CC1(C)C
InChIInChI=1S/C12H19N3O/c1-12(2)7-10(16)9(6-11(12)13-3)15-5-4-14-8-15/h4-6,8,10-11,13,16H,7H2,1-3H3
InChIKeyOPZLFQOGYAYBCU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.10
Rot. Bonds2

About 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol

2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol (PubChem CID 141424858) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol
PubChem CID141424858
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol
SMILESCNC1C=C(n2ccnc2)C(O)CC1(C)C
InChIInChI=1S/C12H19N3O/c1-12(2)7-10(16)9(6-11(12)13-3)15-5-4-14-8-15/h4-6,8,10-11,13,16H,7H2,1-3H3
InChIKeyOPZLFQOGYAYBCU-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol
CID 12769484
(Z)-1-cyclohexyl-2-imidazol-1-yl-4,4-dimethylpent-1-en-3-ol
CID 12788730
(E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol
CID 20501333
4-Imidazol-1-yl-2,2-dimethyldec-5-en-3-ol
CID 53638233
4-Imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol
CID 53715201
1-Cyclohexyl-2-imidazol-1-yl-4,4-dimethylpent-1-en-3-ol
CID 54200364
3-Imidazol-1-yl-5,5-dimethylcyclohex-2-en-1-ol
CID 117761501
3-Imidazol-1-yl-6,6-dimethylcyclohex-2-en-1-ol
CID 117761784
2-Amino-4-imidazol-1-ylcyclohex-3-en-1-ol
CID 117762194
3-Imidazol-1-yl-5,5-dimethylcyclopent-2-en-1-ol
CID 117763555
2-Amino-4-imidazol-1-yl-1-methylcyclohex-3-en-1-ol;hydrochloride
CID 117763572
2-Amino-4-imidazol-1-yl-1-methylcyclohex-3-en-1-ol
CID 117763573

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol?
The IUPAC name of 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol (CID 141424858) is 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol.
What is the SMILES notation for 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol?
The canonical SMILES for 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol is CNC1C=C(n2ccnc2)C(O)CC1(C)C.
What is the InChIKey of 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol?
The InChIKey is OPZLFQOGYAYBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2)7-10(16)9(6-11(12)13-3)15-5-4-14-8-15/h4-6,8,10-11,13,16H,7H2,1-3H3.
What are the key properties of 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol?
2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol is sourced from PubChem (CID 141424858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).