N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate

C15H17N2O- — CID 59861907

IUPACN-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate
SMILESCN(C)CC/N=C(\[O-])c1cccc2ccccc12
InChIInChI=1S/C15H18N2O/c1-17(2)11-10-16-15(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3,(H,16,18)/p-1
InChIKeyBEUQPNDUGUHRKU-UHFFFAOYSA-M
MW241.31 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate

N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate (PubChem CID 59861907) has the molecular formula C15H17N2O- and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate
PubChem CID59861907
Molecular FormulaC15H17N2O-
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC NameN-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate
SMILESCN(C)CC/N=C(\[O-])c1cccc2ccccc12
InChIInChI=1S/C15H18N2O/c1-17(2)11-10-16-15(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3,(H,16,18)/p-1
InChIKeyBEUQPNDUGUHRKU-UHFFFAOYSA-M
XLogP1.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate?
The IUPAC name of N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate (CID 59861907) is N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate?
The canonical SMILES for N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate is CN(C)CC/N=C(\[O-])c1cccc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate?
The InChIKey is BEUQPNDUGUHRKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N2O/c1-17(2)11-10-16-15(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3,(H,16,18)/p-1.
What are the key properties of N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate?
N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate has a molecular weight of 241.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate is sourced from PubChem (CID 59861907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).