trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine

C14H25N3 — CID 102738939

IUPACtrans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine
SMILESCC(C)(C)Cc1cncn1[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C14H25N3/c1-14(2,3)8-11-9-16-10-17(11)13-7-5-4-6-12(13)15/h9-10,12-13H,4-8,15H2,1-3H3/t12-,13-/m1/s1
InChIKeyNSDRYWCYGRQSPX-CHWSQXEVSA-N
MW235.38 g/mol
LogP2.91
Rot. Bonds2

About trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine

trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine (PubChem CID 102738939) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine
PubChem CID102738939
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Nametrans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine
SMILESCC(C)(C)Cc1cncn1[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C14H25N3/c1-14(2,3)8-11-9-16-10-17(11)13-7-5-4-6-12(13)15/h9-10,12-13H,4-8,15H2,1-3H3/t12-,13-/m1/s1
InChIKeyNSDRYWCYGRQSPX-CHWSQXEVSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine (CID 102738939) is trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine is CC(C)(C)Cc1cncn1[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine?
The InChIKey is NSDRYWCYGRQSPX-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)8-11-9-16-10-17(11)13-7-5-4-6-12(13)15/h9-10,12-13H,4-8,15H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine?
trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[5-(2,2-dimethylpropyl)imidazol-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 102738939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).