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

C10H22N4 — CID 62359694

IUPAC4-tert-butyl-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N4/c1-10(2,3)14-7-5-13(6-8-14)9(11)12-4/h5-8H2,1-4H3,(H2,11,12)
InChIKeyBXCDQUVTMUVZMJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.35
Rot. Bonds

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

4-tert-butyl-N'-methylpiperazine-1-carboximidamide (PubChem CID 62359694) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-tert-butyl-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butyl-N'-methylpiperazine-1-carboximidamide
PubChem CID62359694
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name4-tert-butyl-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N4/c1-10(2,3)14-7-5-13(6-8-14)9(11)12-4/h5-8H2,1-4H3,(H2,11,12)
InChIKeyBXCDQUVTMUVZMJ-UHFFFAOYSA-N
XLogP0.35
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.35
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'-methylpiperazine-1-carboximidamide?
The IUPAC name of 4-tert-butyl-N'-methylpiperazine-1-carboximidamide (CID 62359694) is 4-tert-butyl-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-tert-butyl-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for 4-tert-butyl-N'-methylpiperazine-1-carboximidamide is C/N=C(\N)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N'-methylpiperazine-1-carboximidamide?
The InChIKey is BXCDQUVTMUVZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-10(2,3)14-7-5-13(6-8-14)9(11)12-4/h5-8H2,1-4H3,(H2,11,12).
What are the key properties of 4-tert-butyl-N'-methylpiperazine-1-carboximidamide?
4-tert-butyl-N'-methylpiperazine-1-carboximidamide has a molecular weight of 198.31 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 62359694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).