1-(1-ethylimidazol-2-yl)undecan-2-amine

C16H31N3 — CID 105009322

IUPAC1-(1-ethylimidazol-2-yl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1nccn1CC
InChIInChI=1S/C16H31N3/c1-3-5-6-7-8-9-10-11-15(17)14-16-18-12-13-19(16)4-2/h12-13,15H,3-11,14,17H2,1-2H3
InChIKeyGQEMRSYOCCOWHO-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.91
Rot. Bonds11

About 1-(1-ethylimidazol-2-yl)undecan-2-amine

1-(1-ethylimidazol-2-yl)undecan-2-amine (PubChem CID 105009322) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)undecan-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)undecan-2-amine
PubChem CID105009322
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1-ethylimidazol-2-yl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1nccn1CC
InChIInChI=1S/C16H31N3/c1-3-5-6-7-8-9-10-11-15(17)14-16-18-12-13-19(16)4-2/h12-13,15H,3-11,14,17H2,1-2H3
InChIKeyGQEMRSYOCCOWHO-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
CID 79751475
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79760461
1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine
CID 105002075
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)undecan-2-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)undecan-2-amine (CID 105009322) is 1-(1-ethylimidazol-2-yl)undecan-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)undecan-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)undecan-2-amine is CCCCCCCCCC(N)Cc1nccn1CC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)undecan-2-amine?
The InChIKey is GQEMRSYOCCOWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-5-6-7-8-9-10-11-15(17)14-16-18-12-13-19(16)4-2/h12-13,15H,3-11,14,17H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)undecan-2-amine?
1-(1-ethylimidazol-2-yl)undecan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)undecan-2-amine is sourced from PubChem (CID 105009322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).