N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C12H20N4 — CID 62133315

IUPACN-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCn1ccnc1NC1CCN2CCCCC12
InChIInChI=1S/C12H20N4/c1-15-9-6-13-12(15)14-10-5-8-16-7-3-2-4-11(10)16/h6,9-11H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyMBYLABQBUKJRNH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.46
Rot. Bonds2

About N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 62133315) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID62133315
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCn1ccnc1NC1CCN2CCCCC12
InChIInChI=1S/C12H20N4/c1-15-9-6-13-12(15)14-10-5-8-16-7-3-2-4-11(10)16/h6,9-11H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyMBYLABQBUKJRNH-UHFFFAOYSA-N
XLogP1.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 62133315) is N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is Cn1ccnc1NC1CCN2CCCCC12.
What is the InChIKey of N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is MBYLABQBUKJRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-9-6-13-12(15)14-10-5-8-16-7-3-2-4-11(10)16/h6,9-11H,2-5,7-8H2,1H3,(H,13,14).
What are the key properties of N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 62133315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).