N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine

C12H14N2O — CID 11171679

IUPACN,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine
SMILESCN(C)Cc1ccc(-c2cccnc2)o1
InChIInChI=1S/C12H14N2O/c1-14(2)9-11-5-6-12(15-11)10-4-3-7-13-8-10/h3-8H,9H2,1-2H3
InChIKeyPJHSLLRNPASXIS-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.40
Rot. Bonds3

About N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine

N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine (PubChem CID 11171679) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine
PubChem CID11171679
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine
SMILESCN(C)Cc1ccc(-c2cccnc2)o1
InChIInChI=1S/C12H14N2O/c1-14(2)9-11-5-6-12(15-11)10-4-3-7-13-8-10/h3-8H,9H2,1-2H3
InChIKeyPJHSLLRNPASXIS-UHFFFAOYSA-N
XLogP2.40
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine (CID 11171679) is N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine is CN(C)Cc1ccc(-c2cccnc2)o1.
What is the InChIKey of N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine?
The InChIKey is PJHSLLRNPASXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14(2)9-11-5-6-12(15-11)10-4-3-7-13-8-10/h3-8H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine?
N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine has a molecular weight of 202.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine is sourced from PubChem (CID 11171679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).