N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine

C15H26N4 — CID 106566157

IUPACN-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C1CCN2CCCC12
InChIInChI=1S/C15H26N4/c1-3-4-8-16-15-17-12(2)11-19(15)14-7-10-18-9-5-6-13(14)18/h11,13-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyDSBGGEUQLUHEAL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds5

About N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine

N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine (PubChem CID 106566157) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine
PubChem CID106566157
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C1CCN2CCCC12
InChIInChI=1S/C15H26N4/c1-3-4-8-16-15-17-12(2)11-19(15)14-7-10-18-9-5-6-13(14)18/h11,13-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyDSBGGEUQLUHEAL-UHFFFAOYSA-N
XLogP2.81
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
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

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566166
N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine
CID 106579015
1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
CID 106574582
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106566147
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine
CID 106567867
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571745

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine (CID 106566157) is N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1C1CCN2CCCC12.
What is the InChIKey of N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine?
The InChIKey is DSBGGEUQLUHEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-4-8-16-15-17-12(2)11-19(15)14-7-10-18-9-5-6-13(14)18/h11,13-14H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine?
N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106566157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).