4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline

C17H23N3 — CID 46222047

IUPAC4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline
SMILESc1ncc(CCNc2ccc(C3CCCCC3)cc2)[nH]1
InChIInChI=1S/C17H23N3/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-11-10-17-12-18-13-20-17/h6-9,12-14,19H,1-5,10-11H2,(H,18,20)
InChIKeyGEYDSVZUDGXVCV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds5

About 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline

4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline (PubChem CID 46222047) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline
PubChem CID46222047
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline
SMILESc1ncc(CCNc2ccc(C3CCCCC3)cc2)[nH]1
InChIInChI=1S/C17H23N3/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-11-10-17-12-18-13-20-17/h6-9,12-14,19H,1-5,10-11H2,(H,18,20)
InChIKeyGEYDSVZUDGXVCV-UHFFFAOYSA-N
XLogP4.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline?
The IUPAC name of 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline (CID 46222047) is 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline is c1ncc(CCNc2ccc(C3CCCCC3)cc2)[nH]1.
What is the InChIKey of 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline?
The InChIKey is GEYDSVZUDGXVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-11-10-17-12-18-13-20-17/h6-9,12-14,19H,1-5,10-11H2,(H,18,20).
What are the key properties of 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline?
4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]aniline is sourced from PubChem (CID 46222047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).