N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C19H38N4 — CID 84589491

IUPACN-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCN(C)C1CCN(C(C)(C)CNC2CCN3CCCC3C2)CC1
InChIInChI=1S/C19H38N4/c1-19(2,23-12-8-17(9-13-23)21(3)4)15-20-16-7-11-22-10-5-6-18(22)14-16/h16-18,20H,5-15H2,1-4H3
InChIKeyVLFKBJYQSRUVMU-UHFFFAOYSA-N
MW322.54 g/mol
LogP2.01
Rot. Bonds5

About N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 84589491) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID84589491
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC NameN-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCN(C)C1CCN(C(C)(C)CNC2CCN3CCCC3C2)CC1
InChIInChI=1S/C19H38N4/c1-19(2,23-12-8-17(9-13-23)21(3)4)15-20-16-7-11-22-10-5-6-18(22)14-16/h16-18,20H,5-15H2,1-4H3
InChIKeyVLFKBJYQSRUVMU-UHFFFAOYSA-N
XLogP2.01
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 84589491) is N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CN(C)C1CCN(C(C)(C)CNC2CCN3CCCC3C2)CC1.
What is the InChIKey of N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is VLFKBJYQSRUVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/c1-19(2,23-12-8-17(9-13-23)21(3)4)15-20-16-7-11-22-10-5-6-18(22)14-16/h16-18,20H,5-15H2,1-4H3.
What are the key properties of N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 322.54 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 84589491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).