N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide

C10H19N3O — CID 161264405

IUPACN-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide
SMILESC/N=C(\C)C(=CN)CNC(=O)C(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)10(14)13-6-9(5-11)8(3)12-4/h5,7H,6,11H2,1-4H3,(H,13,14)/b9-5?,12-8+
InChIKeyCGNGXVOSTGZCFH-LCYGUJRPSA-N
MW197.28 g/mol
LogP0.69
Rot. Bonds4

About N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide

N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide (PubChem CID 161264405) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide
PubChem CID161264405
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide
SMILESC/N=C(\C)C(=CN)CNC(=O)C(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)10(14)13-6-9(5-11)8(3)12-4/h5,7H,6,11H2,1-4H3,(H,13,14)/b9-5?,12-8+
InChIKeyCGNGXVOSTGZCFH-LCYGUJRPSA-N
XLogP0.69
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide?
The IUPAC name of N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide (CID 161264405) is N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide is C/N=C(\C)C(=CN)CNC(=O)C(C)C.
What is the InChIKey of N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide?
The InChIKey is CGNGXVOSTGZCFH-LCYGUJRPSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)10(14)13-6-9(5-11)8(3)12-4/h5,7H,6,11H2,1-4H3,(H,13,14)/b9-5?,12-8+.
What are the key properties of N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide?
N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide has a molecular weight of 197.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide is sourced from PubChem (CID 161264405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).