5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile

C12H20N4 — CID 106721300

IUPAC5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile
SMILESCCC(N)Cc1cn(CCCCC#N)cn1
InChIInChI=1S/C12H20N4/c1-2-11(14)8-12-9-16(10-15-12)7-5-3-4-6-13/h9-11H,2-5,7-8,14H2,1H3
InChIKeyGEZJYKFOWZIAAL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.86
Rot. Bonds7

About 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile

5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile (PubChem CID 106721300) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile
PubChem CID106721300
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile
SMILESCCC(N)Cc1cn(CCCCC#N)cn1
InChIInChI=1S/C12H20N4/c1-2-11(14)8-12-9-16(10-15-12)7-5-3-4-6-13/h9-11H,2-5,7-8,14H2,1H3
InChIKeyGEZJYKFOWZIAAL-UHFFFAOYSA-N
XLogP1.86
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
CID 106721187
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
1-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]butan-2-amine
CID 106721447
1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine
CID 106721431
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721337
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
4-[[4-(2-aminobutyl)imidazol-1-yl]methyl]-3-fluorobenzonitrile
CID 106721249
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721394
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721438
(1-butylimidazol-4-yl)methanamine
CID 82467842
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721334

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile?
The IUPAC name of 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile (CID 106721300) is 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile is CCC(N)Cc1cn(CCCCC#N)cn1.
What is the InChIKey of 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile?
The InChIKey is GEZJYKFOWZIAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-11(14)8-12-9-16(10-15-12)7-5-3-4-6-13/h9-11H,2-5,7-8,14H2,1H3.
What are the key properties of 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile?
5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile has a molecular weight of 220.32 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile is sourced from PubChem (CID 106721300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).