N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide

C18H34N4 — CID 25139417

IUPACN,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(=N\C2CCCCC2)NC2CCCCC2)CC1
InChIInChI=1S/C18H34N4/c1-21-12-14-22(15-13-21)18(19-16-8-4-2-5-9-16)20-17-10-6-3-7-11-17/h16-17H,2-15H2,1H3,(H,19,20)
InChIKeyUZPCHCOQQYRGFI-UHFFFAOYSA-N
MW306.50 g/mol
LogP2.84
Rot. Bonds2

About N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide

N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide (PubChem CID 25139417) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide
PubChem CID25139417
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC NameN,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(=N\C2CCCCC2)NC2CCCCC2)CC1
InChIInChI=1S/C18H34N4/c1-21-12-14-22(15-13-21)18(19-16-8-4-2-5-9-16)20-17-10-6-3-7-11-17/h16-17H,2-15H2,1H3,(H,19,20)
InChIKeyUZPCHCOQQYRGFI-UHFFFAOYSA-N
XLogP2.84
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 52.84
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 N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide (CID 25139417) is N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide is CN1CCN(/C(=N\C2CCCCC2)NC2CCCCC2)CC1.
What is the InChIKey of N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide?
The InChIKey is UZPCHCOQQYRGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-21-12-14-22(15-13-21)18(19-16-8-4-2-5-9-16)20-17-10-6-3-7-11-17/h16-17H,2-15H2,1H3,(H,19,20).
What are the key properties of N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide?
N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide has a molecular weight of 306.50 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 25139417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).