ethane;4-ethyl-1-pentylimidazole

C14H30N2 — CID 142090904

IUPACethane;4-ethyl-1-pentylimidazole
SMILESCC.CC.CCCCCn1cnc(CC)c1
InChIInChI=1S/C10H18N2.2C2H6/c1-3-5-6-7-12-8-10(4-2)11-9-12;2*1-2/h8-9H,3-7H2,1-2H3;2*1-2H3
InChIKeyKFECFFYUTSGGRG-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.69
Rot. Bonds5

About ethane;4-ethyl-1-pentylimidazole

ethane;4-ethyl-1-pentylimidazole (PubChem CID 142090904) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;4-ethyl-1-pentylimidazole.

Molecular Properties

Compound Nameethane;4-ethyl-1-pentylimidazole
PubChem CID142090904
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;4-ethyl-1-pentylimidazole
SMILESCC.CC.CCCCCn1cnc(CC)c1
InChIInChI=1S/C10H18N2.2C2H6/c1-3-5-6-7-12-8-10(4-2)11-9-12;2*1-2/h8-9H,3-7H2,1-2H3;2*1-2H3
InChIKeyKFECFFYUTSGGRG-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-pentylimidazol-4-yl)methanol
CID 11147952
(1-butylimidazol-4-yl)methanamine
CID 82467842
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
1-dodecylimidazol-4-amine
CID 10848375
1,4-dipropylimidazole;ethane
CID 165398933
trimethyl-(1-octylimidazol-4-yl)azanium
CID 174760325
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401
2-(4-ethylimidazol-1-yl)acetic acid
CID 54402950
4-butyl-1-(3-methylbutyl)imidazole
CID 164535740
4-ethyl-1-methylimidazole
CID 20517177
1-hexyl-4-nitroimidazole
CID 26793694
1-(1-butylimidazol-4-yl)-N-iodo-N-propoxymethanamine
CID 126550448

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-pentylimidazole?
The IUPAC name of ethane;4-ethyl-1-pentylimidazole (CID 142090904) is ethane;4-ethyl-1-pentylimidazole.
What is the SMILES notation for ethane;4-ethyl-1-pentylimidazole?
The canonical SMILES for ethane;4-ethyl-1-pentylimidazole is CC.CC.CCCCCn1cnc(CC)c1.
What is the InChIKey of ethane;4-ethyl-1-pentylimidazole?
The InChIKey is KFECFFYUTSGGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.2C2H6/c1-3-5-6-7-12-8-10(4-2)11-9-12;2*1-2/h8-9H,3-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-ethyl-1-pentylimidazole?
ethane;4-ethyl-1-pentylimidazole has a molecular weight of 226.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-pentylimidazole is sourced from PubChem (CID 142090904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).