1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide

C18H38N6 — CID 101405087

IUPAC1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide
SMILESCC(C)/N=C(/NC(C)C)N1CCN(/C(=N\C(C)C)NC(C)C)CC1
InChIInChI=1S/C18H38N6/c1-13(2)19-17(20-14(3)4)23-9-11-24(12-10-23)18(21-15(5)6)22-16(7)8/h13-16H,9-12H2,1-8H3,(H,19,20)(H,21,22)
InChIKeyKTPKBAAUZWDCLE-UHFFFAOYSA-N
MW338.54 g/mol
LogP2.13
Rot. Bonds4

About 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide

1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide (PubChem CID 101405087) has the molecular formula C18H38N6 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide.

Molecular Properties

Compound Name1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide
PubChem CID101405087
Molecular FormulaC18H38N6
Molecular Weight338.54 g/mol
Exact Mass338.32
IUPAC Name1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide
SMILESCC(C)/N=C(/NC(C)C)N1CCN(/C(=N\C(C)C)NC(C)C)CC1
InChIInChI=1S/C18H38N6/c1-13(2)19-17(20-14(3)4)23-9-11-24(12-10-23)18(21-15(5)6)22-16(7)8/h13-16H,9-12H2,1-8H3,(H,19,20)(H,21,22)
InChIKeyKTPKBAAUZWDCLE-UHFFFAOYSA-N
XLogP2.13
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 52.13
H-Bond Donors ≤ 52
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 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide?
The IUPAC name of 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide (CID 101405087) is 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide.
What is the SMILES notation for 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide?
The canonical SMILES for 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide is CC(C)/N=C(/NC(C)C)N1CCN(/C(=N\C(C)C)NC(C)C)CC1.
What is the InChIKey of 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide?
The InChIKey is KTPKBAAUZWDCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N6/c1-13(2)19-17(20-14(3)4)23-9-11-24(12-10-23)18(21-15(5)6)22-16(7)8/h13-16H,9-12H2,1-8H3,(H,19,20)(H,21,22).
What are the key properties of 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide?
1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide has a molecular weight of 338.54 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide is sourced from PubChem (CID 101405087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).