2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine

C14H25N3 — CID 10354065

IUPAC2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(CCCC2CCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c15-10-9-13-11-16-14(17-13)8-4-7-12-5-2-1-3-6-12/h11-12H,1-10,15H2,(H,16,17)
InChIKeyAROZRCQBIPYUBR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.81
Rot. Bonds6

About 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine

2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 10354065) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine
PubChem CID10354065
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(CCCC2CCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c15-10-9-13-11-16-14(17-13)8-4-7-12-5-2-1-3-6-12/h11-12H,1-10,15H2,(H,16,17)
InChIKeyAROZRCQBIPYUBR-UHFFFAOYSA-N
XLogP2.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine (CID 10354065) is 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(CCCC2CCCCC2)[nH]1.
What is the InChIKey of 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is AROZRCQBIPYUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c15-10-9-13-11-16-14(17-13)8-4-7-12-5-2-1-3-6-12/h11-12H,1-10,15H2,(H,16,17).
What are the key properties of 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclohexylpropyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10354065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).