3-[methyl(pyridin-4-yl)amino]butanimidamide

C10H16N4 — CID 63224751

IUPAC3-[methyl(pyridin-4-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)c1ccncc1
InChIInChI=1S/C10H16N4/c1-8(7-10(11)12)14(2)9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3,(H3,11,12)
InChIKeyRIUMJHCCYLHLBM-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.23
Rot. Bonds4

About 3-[methyl(pyridin-4-yl)amino]butanimidamide

3-[methyl(pyridin-4-yl)amino]butanimidamide (PubChem CID 63224751) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-[methyl(pyridin-4-yl)amino]butanimidamide.

Molecular Properties

Compound Name3-[methyl(pyridin-4-yl)amino]butanimidamide
PubChem CID63224751
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-[methyl(pyridin-4-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)c1ccncc1
InChIInChI=1S/C10H16N4/c1-8(7-10(11)12)14(2)9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3,(H3,11,12)
InChIKeyRIUMJHCCYLHLBM-UHFFFAOYSA-N
XLogP1.23
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-4-yl)amino]butanimidamide?
The IUPAC name of 3-[methyl(pyridin-4-yl)amino]butanimidamide (CID 63224751) is 3-[methyl(pyridin-4-yl)amino]butanimidamide.
What is the SMILES notation for 3-[methyl(pyridin-4-yl)amino]butanimidamide?
The canonical SMILES for 3-[methyl(pyridin-4-yl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)c1ccncc1.
What is the InChIKey of 3-[methyl(pyridin-4-yl)amino]butanimidamide?
The InChIKey is RIUMJHCCYLHLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8(7-10(11)12)14(2)9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3,(H3,11,12).
What are the key properties of 3-[methyl(pyridin-4-yl)amino]butanimidamide?
3-[methyl(pyridin-4-yl)amino]butanimidamide has a molecular weight of 192.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-4-yl)amino]butanimidamide is sourced from PubChem (CID 63224751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).