4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline

C14H19N3 — CID 21193542

IUPAC4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline
SMILESCCc1ccc(NCCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-2-12-5-7-13(8-6-12)16-9-3-4-14-10-15-11-17-14/h5-8,10-11,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyULONFSRUBKNHMY-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.02
Rot. Bonds6

About 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline

4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline (PubChem CID 21193542) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline
PubChem CID21193542
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline
SMILESCCc1ccc(NCCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-2-12-5-7-13(8-6-12)16-9-3-4-14-10-15-11-17-14/h5-8,10-11,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyULONFSRUBKNHMY-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-4-pentylaniline
CID 55109450
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
4-ethyl-N-(3-fluoropropyl)aniline
CID 81106557
5-hexyl-1H-imidazole
CID 14225142
4-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonic acid
CID 22146865
1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea
CID 10398801
4-(1H-imidazol-5-yl)-N-pentylaniline
CID 43722360
4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 59191244
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
5-ethyl-1H-imidazole;molecular hydrogen;propane
CID 153371786

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline?
The IUPAC name of 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline (CID 21193542) is 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline.
What is the SMILES notation for 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline?
The canonical SMILES for 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline is CCc1ccc(NCCCc2cnc[nH]2)cc1.
What is the InChIKey of 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline?
The InChIKey is ULONFSRUBKNHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-12-5-7-13(8-6-12)16-9-3-4-14-10-15-11-17-14/h5-8,10-11,16H,2-4,9H2,1H3,(H,15,17).
What are the key properties of 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline?
4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline is sourced from PubChem (CID 21193542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).