trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine

C12H21N3 — CID 102738945

IUPACtrans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine
SMILESCCCc1cncn1[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C12H21N3/c1-2-5-10-8-14-9-15(10)12-7-4-3-6-11(12)13/h8-9,11-12H,2-7,13H2,1H3/t11-,12-/m1/s1
InChIKeyOBCIEPNCRRXHDX-VXGBXAGGSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds3

About trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine

trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine (PubChem CID 102738945) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine
PubChem CID102738945
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Nametrans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine
SMILESCCCc1cncn1[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C12H21N3/c1-2-5-10-8-14-9-15(10)12-7-4-3-6-11(12)13/h8-9,11-12H,2-7,13H2,1H3/t11-,12-/m1/s1
InChIKeyOBCIEPNCRRXHDX-VXGBXAGGSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
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-propylimidazol-1-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine (CID 102738945) is trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine is CCCc1cncn1[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine?
The InChIKey is OBCIEPNCRRXHDX-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-5-10-8-14-9-15(10)12-7-4-3-6-11(12)13/h8-9,11-12H,2-7,13H2,1H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine?
trans-(1R,2R)-2-(5-propylimidazol-1-yl)cyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 3 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-propylimidazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 102738945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).