N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide)

C32H75N13 — CID 161008098

About N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide)

N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide) (PubChem CID 161008098) has the molecular formula C32H75N13 and a molecular weight of 642.04 g/mol. Its IUPAC name is N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide).

Molecular Properties

• Compound Name: N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide)
• PubChem CID: 161008098
• Molecular Formula: C32H75N13
• Molecular Weight: 642.04 g/mol
• Exact Mass: 641.63
• IUPAC Name: N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide)
• SMILES: C/N=C(\C)N(C)C.C/N=C(\C)N(C)C.C/N=C(\C)N(C)C.C/N=C(\C)N(C)N(C)C.C/N=C/N=C(\C)N(C)C.C=C(C)N(C)C
• InChI: InChI=1S/C6H15N3.C6H13N3.3C5H12N2.C5H11N/c1-6(7-2)9(5)8(3)4;1-6(9(3)4)8-5-7-2;3*1-5(6-2)7(3)4;1-5(2)6(3)4/h1-5H3;5H,1-4H3;3*1-4H3;1H2,2-4H3/b7-6+;7-5+,8-6+;3*6-5+
• InChIKey: TWTRCQAZKDXPLT-OWDQXTEYSA-N
• XLogP: 3.94
• TPSA: 96.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	642.04
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide)?

The IUPAC name of N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide) (CID 161008098) is N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide).

What is the SMILES notation for N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide)?

The canonical SMILES for N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide) is C/N=C(\C)N(C)C.C/N=C(\C)N(C)C.C/N=C(\C)N(C)C.C/N=C(\C)N(C)N(C)C.C/N=C/N=C(\C)N(C)C.C=C(C)N(C)C.

What is the InChIKey of N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide)?

The InChIKey is TWTRCQAZKDXPLT-OWDQXTEYSA-N. The full InChI is InChI=1S/C6H15N3.C6H13N3.3C5H12N2.C5H11N/c1-6(7-2)9(5)8(3)4;1-6(9(3)4)8-5-7-2;3*1-5(6-2)7(3)4;1-5(2)6(3)4/h1-5H3;5H,1-4H3;3*1-4H3;1H2,2-4H3/b7-6+;7-5+,8-6+;3*6-5+;.

What are the key properties of N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide)?

N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide) has a molecular weight of 642.04 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide) is sourced from PubChem (CID 161008098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).