N-benzyl-1,2-dihydropyridin-2-amine

C12H14N2 — CID 19072346

IUPACN-benzyl-1,2-dihydropyridin-2-amine
SMILESC1=CNC(NCc2ccccc2)C=C1
InChIInChI=1S/C12H14N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9,12-14H,10H2
InChIKeyLNURMDMKVBPZSX-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.78
Rot. Bonds3

About N-benzyl-1,2-dihydropyridin-2-amine

N-benzyl-1,2-dihydropyridin-2-amine (PubChem CID 19072346) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-benzyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-1,2-dihydropyridin-2-amine
PubChem CID19072346
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-benzyl-1,2-dihydropyridin-2-amine
SMILESC1=CNC(NCc2ccccc2)C=C1
InChIInChI=1S/C12H14N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9,12-14H,10H2
InChIKeyLNURMDMKVBPZSX-UHFFFAOYSA-N
XLogP1.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2-dihydropyridin-2-amine?
The IUPAC name of N-benzyl-1,2-dihydropyridin-2-amine (CID 19072346) is N-benzyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for N-benzyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for N-benzyl-1,2-dihydropyridin-2-amine is C1=CNC(NCc2ccccc2)C=C1.
What is the InChIKey of N-benzyl-1,2-dihydropyridin-2-amine?
The InChIKey is LNURMDMKVBPZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9,12-14H,10H2.
What are the key properties of N-benzyl-1,2-dihydropyridin-2-amine?
N-benzyl-1,2-dihydropyridin-2-amine has a molecular weight of 186.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 19072346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).