8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine

C9H16N2 — CID 90440151

IUPAC8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine
SMILES[H]/N=C1\CCN2CCCC2(C)C1
InChIInChI=1S/C9H16N2/c1-9-4-2-5-11(9)6-3-8(10)7-9/h10H,2-7H2,1H3/b10-8+
InChIKeyIVVUYWHLLVEXMR-CSKARUKUSA-N
MW152.24 g/mol
LogP1.65
Rot. Bonds

About 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine

8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine (PubChem CID 90440151) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine.

Molecular Properties

Compound Name8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine
PubChem CID90440151
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine
SMILES[H]/N=C1\CCN2CCCC2(C)C1
InChIInChI=1S/C9H16N2/c1-9-4-2-5-11(9)6-3-8(10)7-9/h10H,2-7H2,1H3/b10-8+
InChIKeyIVVUYWHLLVEXMR-CSKARUKUSA-N
XLogP1.65
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine?
The IUPAC name of 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine (CID 90440151) is 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine.
What is the SMILES notation for 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine?
The canonical SMILES for 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine is [H]/N=C1\CCN2CCCC2(C)C1.
What is the InChIKey of 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine?
The InChIKey is IVVUYWHLLVEXMR-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N2/c1-9-4-2-5-11(9)6-3-8(10)7-9/h10H,2-7H2,1H3/b10-8+.
What are the key properties of 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine?
8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine has a molecular weight of 152.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-imine is sourced from PubChem (CID 90440151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).