4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide

C13H29N5 — CID 62890381

IUPAC4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H29N5/c1-12(2)11-15-13(14)18-9-7-17(8-10-18)6-5-16(3)4/h12H,5-11H2,1-4H3,(H2,14,15)
InChIKeyBTHXRDOYZZTWQJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.14
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide

4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide (PubChem CID 62890381) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide
PubChem CID62890381
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H29N5/c1-12(2)11-15-13(14)18-9-7-17(8-10-18)6-5-16(3)4/h12H,5-11H2,1-4H3,(H2,14,15)
InChIKeyBTHXRDOYZZTWQJ-UHFFFAOYSA-N
XLogP0.14
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.14
H-Bond Donors ≤ 51
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 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide (CID 62890381) is 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide is CC(C)C/N=C(\N)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The InChIKey is BTHXRDOYZZTWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-12(2)11-15-13(14)18-9-7-17(8-10-18)6-5-16(3)4/h12H,5-11H2,1-4H3,(H2,14,15).
What are the key properties of 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide?
4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide has a molecular weight of 255.41 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 62890381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).