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

C17H21N3 — CID 63229349

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NC1CCN2CCCC12
InChIInChI=1S/C17H21N3/c1-12-11-13-5-2-3-6-14(13)18-17(12)19-15-8-10-20-9-4-7-16(15)20/h2-3,5-6,11,15-16H,4,7-10H2,1H3,(H,18,19)
InChIKeyNOVRXQIPAHKUDF-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.19
Rot. Bonds2

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

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine (PubChem CID 63229349) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine
PubChem CID63229349
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NC1CCN2CCCC12
InChIInChI=1S/C17H21N3/c1-12-11-13-5-2-3-6-14(13)18-17(12)19-15-8-10-20-9-4-7-16(15)20/h2-3,5-6,11,15-16H,4,7-10H2,1H3,(H,18,19)
InChIKeyNOVRXQIPAHKUDF-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine (CID 63229349) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1NC1CCN2CCCC12.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine?
The InChIKey is NOVRXQIPAHKUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-11-13-5-2-3-6-14(13)18-17(12)19-15-8-10-20-9-4-7-16(15)20/h2-3,5-6,11,15-16H,4,7-10H2,1H3,(H,18,19).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine has a molecular weight of 267.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine is sourced from PubChem (CID 63229349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).