cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine

C11H19N3 — CID 121317523

IUPACcis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)[C@@H](N)CCC[C@H]1n1ccnc1
InChIInChI=1S/C11H19N3/c1-11(2)9(12)4-3-5-10(11)14-7-6-13-8-14/h6-10H,3-5,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyHCQIYEKKWBELHY-VHSXEESVSA-N
MW193.29 g/mol
LogP1.96
Rot. Bonds1

About cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine

cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine (PubChem CID 121317523) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine
PubChem CID121317523
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Namecis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)[C@@H](N)CCC[C@H]1n1ccnc1
InChIInChI=1S/C11H19N3/c1-11(2)9(12)4-3-5-10(11)14-7-6-13-8-14/h6-10H,3-5,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyHCQIYEKKWBELHY-VHSXEESVSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine (CID 121317523) is cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine is CC1(C)[C@@H](N)CCC[C@H]1n1ccnc1.
What is the InChIKey of cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is HCQIYEKKWBELHY-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2)9(12)4-3-5-10(11)14-7-6-13-8-14/h6-10H,3-5,12H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine?
cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-imidazol-1-yl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 121317523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).