2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride

C16H19ClN2 — CID 45264410

IUPAC2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C16H18N2.ClH/c17-16(18-9-3-4-10-18)12-13-7-8-14-5-1-2-6-15(14)11-13;/h1-2,5-8,11,17H,3-4,9-10,12H2;1H/b17-16-;
InChIKeyUQVMXSBUJQLAES-XYJRJTJESA-N
MW274.80 g/mol
LogP3.88
Rot. Bonds2

About 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride

2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride (PubChem CID 45264410) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride
PubChem CID45264410
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C16H18N2.ClH/c17-16(18-9-3-4-10-18)12-13-7-8-14-5-1-2-6-15(14)11-13;/h1-2,5-8,11,17H,3-4,9-10,12H2;1H/b17-16-;
InChIKeyUQVMXSBUJQLAES-XYJRJTJESA-N
XLogP3.88
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride?
The IUPAC name of 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride (CID 45264410) is 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride.
What is the SMILES notation for 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride?
The canonical SMILES for 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride is Cl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride?
The InChIKey is UQVMXSBUJQLAES-XYJRJTJESA-N. The full InChI is InChI=1S/C16H18N2.ClH/c17-16(18-9-3-4-10-18)12-13-7-8-14-5-1-2-6-15(14)11-13;/h1-2,5-8,11,17H,3-4,9-10,12H2;1H/b17-16-;.
What are the key properties of 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride?
2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride is sourced from PubChem (CID 45264410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).