N-(2H-quinolin-1-yl)propan-2-imine

C12H14N2 — CID 131842679

IUPACN-(2H-quinolin-1-yl)propan-2-imine
SMILESCC(C)=NN1CC=Cc2ccccc21
InChIInChI=1S/C12H14N2/c1-10(2)13-14-9-5-7-11-6-3-4-8-12(11)14/h3-8H,9H2,1-2H3
InChIKeyBKMLVSVUPKNTNX-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.92
Rot. Bonds1

About N-(2H-quinolin-1-yl)propan-2-imine

N-(2H-quinolin-1-yl)propan-2-imine (PubChem CID 131842679) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-(2H-quinolin-1-yl)propan-2-imine.

Molecular Properties

Compound NameN-(2H-quinolin-1-yl)propan-2-imine
PubChem CID131842679
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-(2H-quinolin-1-yl)propan-2-imine
SMILESCC(C)=NN1CC=Cc2ccccc21
InChIInChI=1S/C12H14N2/c1-10(2)13-14-9-5-7-11-6-3-4-8-12(11)14/h3-8H,9H2,1-2H3
InChIKeyBKMLVSVUPKNTNX-UHFFFAOYSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(2H-quinolin-1-yl)propan-2-imine?
The IUPAC name of N-(2H-quinolin-1-yl)propan-2-imine (CID 131842679) is N-(2H-quinolin-1-yl)propan-2-imine.
What is the SMILES notation for N-(2H-quinolin-1-yl)propan-2-imine?
The canonical SMILES for N-(2H-quinolin-1-yl)propan-2-imine is CC(C)=NN1CC=Cc2ccccc21.
What is the InChIKey of N-(2H-quinolin-1-yl)propan-2-imine?
The InChIKey is BKMLVSVUPKNTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10(2)13-14-9-5-7-11-6-3-4-8-12(11)14/h3-8H,9H2,1-2H3.
What are the key properties of N-(2H-quinolin-1-yl)propan-2-imine?
N-(2H-quinolin-1-yl)propan-2-imine has a molecular weight of 186.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-quinolin-1-yl)propan-2-imine is sourced from PubChem (CID 131842679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).