3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine

C12H19N3O — CID 141424906

IUPAC3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine
SMILESCNC1C=C(n2ccnc2)CCC1(C)OC
InChIInChI=1S/C12H19N3O/c1-12(16-3)5-4-10(8-11(12)13-2)15-7-6-14-9-15/h6-9,11,13H,4-5H2,1-3H3
InChIKeyKTALNHPQCNYMPX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.51
Rot. Bonds3

About 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine

3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine (PubChem CID 141424906) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine
PubChem CID141424906
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine
SMILESCNC1C=C(n2ccnc2)CCC1(C)OC
InChIInChI=1S/C12H19N3O/c1-12(16-3)5-4-10(8-11(12)13-2)15-7-6-14-9-15/h6-9,11,13H,4-5H2,1-3H3
InChIKeyKTALNHPQCNYMPX-UHFFFAOYSA-N
XLogP1.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-imidazol-1-ylcyclohex-3-en-1-ol
CID 117762194
3-(1H-imidazol-1-yl)-6,6-dimethylcyclohex-2-enamine
CID 117762245
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
3-Imidazol-1-yl-5,5-dimethylcyclohex-2-en-1-amine
CID 117763747
(6-Hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamic acid
CID 117764371
3-Imidazol-1-yl-6-methylcyclohex-2-en-1-amine
CID 117764545
3-Imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine
CID 121317551
tert-butyl N-(6-hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
CID 140842130
tert-butyl N-(6-hydroxy-3-imidazol-1-ylcyclohex-2-en-1-yl)carbamate
CID 140842138
tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
CID 140842146
2-Imidazol-1-yl-5,5-dimethyl-4-(methylamino)cyclohex-2-en-1-ol
CID 141424858

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine (CID 141424906) is 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine is CNC1C=C(n2ccnc2)CCC1(C)OC.
What is the InChIKey of 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine?
The InChIKey is KTALNHPQCNYMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(16-3)5-4-10(8-11(12)13-2)15-7-6-14-9-15/h6-9,11,13H,4-5H2,1-3H3.
What are the key properties of 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine?
3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 141424906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).