4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile

C10H16N4 — CID 106721187

IUPAC4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
SMILESCC(N)Cc1cn(CCCC#N)cn1
InChIInChI=1S/C10H16N4/c1-9(12)6-10-7-14(8-13-10)5-3-2-4-11/h7-9H,2-3,5-6,12H2,1H3
InChIKeyZOEUUTYMCPXUAB-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.08
Rot. Bonds5

About 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile

4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile (PubChem CID 106721187) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
PubChem CID106721187
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
SMILESCC(N)Cc1cn(CCCC#N)cn1
InChIInChI=1S/C10H16N4/c1-9(12)6-10-7-14(8-13-10)5-3-2-4-11/h7-9H,2-3,5-6,12H2,1H3
InChIKeyZOEUUTYMCPXUAB-UHFFFAOYSA-N
XLogP1.08
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.08
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

5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile
CID 106721300
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
CID 106721010
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
CID 106721209
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721198
1-[1-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-2-amine
CID 106721204
1-[1-[2-(2-methoxyphenoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721116
1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile?
The IUPAC name of 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile (CID 106721187) is 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile.
What is the SMILES notation for 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile?
The canonical SMILES for 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile is CC(N)Cc1cn(CCCC#N)cn1.
What is the InChIKey of 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile?
The InChIKey is ZOEUUTYMCPXUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-9(12)6-10-7-14(8-13-10)5-3-2-4-11/h7-9H,2-3,5-6,12H2,1H3.
What are the key properties of 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile?
4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile has a molecular weight of 192.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile is sourced from PubChem (CID 106721187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).