N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide

C19H22N2O — CID 10589912

IUPACN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide
SMILESO=CN(CC12CCCN1CCC2)c1cccc2ccccc12
InChIInChI=1S/C19H22N2O/c22-15-20(14-19-10-4-12-21(19)13-5-11-19)18-9-3-7-16-6-1-2-8-17(16)18/h1-3,6-9,15H,4-5,10-14H2
InChIKeyKPAGFRBELLLGGZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.43
Rot. Bonds4

About N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide (PubChem CID 10589912) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide
PubChem CID10589912
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide
SMILESO=CN(CC12CCCN1CCC2)c1cccc2ccccc12
InChIInChI=1S/C19H22N2O/c22-15-20(14-19-10-4-12-21(19)13-5-11-19)18-9-3-7-16-6-1-2-8-17(16)18/h1-3,6-9,15H,4-5,10-14H2
InChIKeyKPAGFRBELLLGGZ-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide (CID 10589912) is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide is O=CN(CC12CCCN1CCC2)c1cccc2ccccc12.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide?
The InChIKey is KPAGFRBELLLGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-15-20(14-19-10-4-12-21(19)13-5-11-19)18-9-3-7-16-6-1-2-8-17(16)18/h1-3,6-9,15H,4-5,10-14H2.
What are the key properties of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide?
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide has a molecular weight of 294.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide is sourced from PubChem (CID 10589912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).