1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine

C13H18N4O — CID 62469731

IUPAC1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
SMILESCc1occc1CN(C)Cc1cccnc1NN
InChIInChI=1S/C13H18N4O/c1-10-11(5-7-18-10)8-17(2)9-12-4-3-6-15-13(12)16-14/h3-7H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyQEKSGHBLOUXPGA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine

1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine (PubChem CID 62469731) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
PubChem CID62469731
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
SMILESCc1occc1CN(C)Cc1cccnc1NN
InChIInChI=1S/C13H18N4O/c1-10-11(5-7-18-10)8-17(2)9-12-4-3-6-15-13(12)16-14/h3-7H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyQEKSGHBLOUXPGA-UHFFFAOYSA-N
XLogP1.90
TPSA67.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine (CID 62469731) is 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine is Cc1occc1CN(C)Cc1cccnc1NN.
What is the InChIKey of 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
The InChIKey is QEKSGHBLOUXPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-11(5-7-18-10)8-17(2)9-12-4-3-6-15-13(12)16-14/h3-7H,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine is sourced from PubChem (CID 62469731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).