N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine

C17H25N3O — CID 81249049

IUPACN,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnc(C)cc1N(C)Cc1ccc(C)o1
InChIInChI=1S/C17H25N3O/c1-5-8-18-10-15-11-19-13(2)9-17(15)20(4)12-16-7-6-14(3)21-16/h6-7,9,11,18H,5,8,10,12H2,1-4H3
InChIKeyYSNIJKFGAUNHFV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.43
Rot. Bonds7

About N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine

N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine (PubChem CID 81249049) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
PubChem CID81249049
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnc(C)cc1N(C)Cc1ccc(C)o1
InChIInChI=1S/C17H25N3O/c1-5-8-18-10-15-11-19-13(2)9-17(15)20(4)12-16-7-6-14(3)21-16/h6-7,9,11,18H,5,8,10,12H2,1-4H3
InChIKeyYSNIJKFGAUNHFV-UHFFFAOYSA-N
XLogP3.43
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine (CID 81249049) is N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine is CCCNCc1cnc(C)cc1N(C)Cc1ccc(C)o1.
What is the InChIKey of N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine?
The InChIKey is YSNIJKFGAUNHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-8-18-10-15-11-19-13(2)9-17(15)20(4)12-16-7-6-14(3)21-16/h6-7,9,11,18H,5,8,10,12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine?
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81249049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).