3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide

C15H24N4O — CID 44561530

IUPAC3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide
SMILESCC(C)N(/C(N)=N/Cc1cccc(C(N)=O)c1)C(C)C
InChIInChI=1S/C15H24N4O/c1-10(2)19(11(3)4)15(17)18-9-12-6-5-7-13(8-12)14(16)20/h5-8,10-11H,9H2,1-4H3,(H2,16,20)(H2,17,18)
InChIKeyYLYGXDDWVWVUJL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.72
Rot. Bonds5

About 3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide

3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide (PubChem CID 44561530) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide
PubChem CID44561530
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide
SMILESCC(C)N(/C(N)=N/Cc1cccc(C(N)=O)c1)C(C)C
InChIInChI=1S/C15H24N4O/c1-10(2)19(11(3)4)15(17)18-9-12-6-5-7-13(8-12)14(16)20/h5-8,10-11H,9H2,1-4H3,(H2,16,20)(H2,17,18)
InChIKeyYLYGXDDWVWVUJL-UHFFFAOYSA-N
XLogP1.72
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide?
The IUPAC name of 3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide (CID 44561530) is 3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide?
The canonical SMILES for 3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide is CC(C)N(/C(N)=N/Cc1cccc(C(N)=O)c1)C(C)C.
What is the InChIKey of 3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide?
The InChIKey is YLYGXDDWVWVUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10(2)19(11(3)4)15(17)18-9-12-6-5-7-13(8-12)14(16)20/h5-8,10-11H,9H2,1-4H3,(H2,16,20)(H2,17,18).
What are the key properties of 3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide?
3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[amino-[di(propan-2-yl)amino]methylidene]amino]methyl]benzamide is sourced from PubChem (CID 44561530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).