2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine

C15H22N2 — CID 71320542

IUPAC2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCC1(c2ccccc2)CC2CC(N)CCN2C1
InChIInChI=1S/C15H22N2/c1-15(12-5-3-2-4-6-12)10-14-9-13(16)7-8-17(14)11-15/h2-6,13-14H,7-11,16H2,1H3
InChIKeyZLFMATBIAZWSDB-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.14
Rot. Bonds1

About 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine

2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine (PubChem CID 71320542) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine.

Molecular Properties

Compound Name2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine
PubChem CID71320542
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCC1(c2ccccc2)CC2CC(N)CCN2C1
InChIInChI=1S/C15H22N2/c1-15(12-5-3-2-4-6-12)10-14-9-13(16)7-8-17(14)11-15/h2-6,13-14H,7-11,16H2,1H3
InChIKeyZLFMATBIAZWSDB-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The IUPAC name of 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine (CID 71320542) is 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine.
What is the SMILES notation for 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The canonical SMILES for 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine is CC1(c2ccccc2)CC2CC(N)CCN2C1.
What is the InChIKey of 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The InChIKey is ZLFMATBIAZWSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(12-5-3-2-4-6-12)10-14-9-13(16)7-8-17(14)11-15/h2-6,13-14H,7-11,16H2,1H3.
What are the key properties of 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine has a molecular weight of 230.36 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine is sourced from PubChem (CID 71320542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).