1-naphthalen-2-ylpyrrolidin-2-imine

C14H14N2 — CID 60722830

IUPAC1-naphthalen-2-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2/c15-14-6-3-9-16(14)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,15H,3,6,9H2/b15-14+
InChIKeyVLEZQWABFAUJKR-CCEZHUSRSA-N
MW210.28 g/mol
LogP3.42
Rot. Bonds1

About 1-naphthalen-2-ylpyrrolidin-2-imine

1-naphthalen-2-ylpyrrolidin-2-imine (PubChem CID 60722830) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-naphthalen-2-ylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-naphthalen-2-ylpyrrolidin-2-imine
PubChem CID60722830
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-naphthalen-2-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2/c15-14-6-3-9-16(14)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,15H,3,6,9H2/b15-14+
InChIKeyVLEZQWABFAUJKR-CCEZHUSRSA-N
XLogP3.42
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-naphthalen-2-ylpyrrolidin-2-imine?
The IUPAC name of 1-naphthalen-2-ylpyrrolidin-2-imine (CID 60722830) is 1-naphthalen-2-ylpyrrolidin-2-imine.
What is the SMILES notation for 1-naphthalen-2-ylpyrrolidin-2-imine?
The canonical SMILES for 1-naphthalen-2-ylpyrrolidin-2-imine is [H]/N=C1\CCCN1c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylpyrrolidin-2-imine?
The InChIKey is VLEZQWABFAUJKR-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H14N2/c15-14-6-3-9-16(14)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,15H,3,6,9H2/b15-14+.
What are the key properties of 1-naphthalen-2-ylpyrrolidin-2-imine?
1-naphthalen-2-ylpyrrolidin-2-imine has a molecular weight of 210.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylpyrrolidin-2-imine is sourced from PubChem (CID 60722830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).