(1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine

C11H19N3 — CID 125426308

IUPAC(1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CC[C@](N)(c2ncc[nH]2)[C@H](C)C1
InChIInChI=1S/C11H19N3/c1-8-3-4-11(12,9(2)7-8)10-13-5-6-14-10/h5-6,8-9H,3-4,7,12H2,1-2H3,(H,13,14)/t8-,9-,11-/m1/s1
InChIKeyHSJZOBAPYGXBQX-FXPVBKGRSA-N
MW193.29 g/mol
LogP2.02
Rot. Bonds1

About (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine

(1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 125426308) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine
PubChem CID125426308
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CC[C@](N)(c2ncc[nH]2)[C@H](C)C1
InChIInChI=1S/C11H19N3/c1-8-3-4-11(12,9(2)7-8)10-13-5-6-14-10/h5-6,8-9H,3-4,7,12H2,1-2H3,(H,13,14)/t8-,9-,11-/m1/s1
InChIKeyHSJZOBAPYGXBQX-FXPVBKGRSA-N
XLogP2.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine (CID 125426308) is (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine is C[C@@H]1CC[C@](N)(c2ncc[nH]2)[C@H](C)C1.
What is the InChIKey of (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is HSJZOBAPYGXBQX-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-3-4-11(12,9(2)7-8)10-13-5-6-14-10/h5-6,8-9H,3-4,7,12H2,1-2H3,(H,13,14)/t8-,9-,11-/m1/s1.
What are the key properties of (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine?
(1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1-(1H-imidazol-2-yl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 125426308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).