4-tert-butyl-N'-propylpiperazine-1-carboximidamide

C12H26N4 — CID 62363004

IUPAC4-tert-butyl-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N4/c1-5-6-14-11(13)15-7-9-16(10-8-15)12(2,3)4/h5-10H2,1-4H3,(H2,13,14)
InChIKeyGLDJDUTUIMQEET-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.13
Rot. Bonds2

About 4-tert-butyl-N'-propylpiperazine-1-carboximidamide

4-tert-butyl-N'-propylpiperazine-1-carboximidamide (PubChem CID 62363004) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 4-tert-butyl-N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butyl-N'-propylpiperazine-1-carboximidamide
PubChem CID62363004
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name4-tert-butyl-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N4/c1-5-6-14-11(13)15-7-9-16(10-8-15)12(2,3)4/h5-10H2,1-4H3,(H2,13,14)
InChIKeyGLDJDUTUIMQEET-UHFFFAOYSA-N
XLogP1.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
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 4-tert-butyl-N'-propylpiperazine-1-carboximidamide?
The IUPAC name of 4-tert-butyl-N'-propylpiperazine-1-carboximidamide (CID 62363004) is 4-tert-butyl-N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-tert-butyl-N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for 4-tert-butyl-N'-propylpiperazine-1-carboximidamide is CCC/N=C(\N)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N'-propylpiperazine-1-carboximidamide?
The InChIKey is GLDJDUTUIMQEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-5-6-14-11(13)15-7-9-16(10-8-15)12(2,3)4/h5-10H2,1-4H3,(H2,13,14).
What are the key properties of 4-tert-butyl-N'-propylpiperazine-1-carboximidamide?
4-tert-butyl-N'-propylpiperazine-1-carboximidamide has a molecular weight of 226.37 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 62363004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).