N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide

C12H26N4 — CID 62360641

IUPACN'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide
SMILESCCCN1CCN(/C(N)=N/CC(C)C)CC1
InChIInChI=1S/C12H26N4/c1-4-5-15-6-8-16(9-7-15)12(13)14-10-11(2)3/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyJSLPFVKUGCZTHD-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.98
Rot. Bonds4

About N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide

N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide (PubChem CID 62360641) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide
PubChem CID62360641
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide
SMILESCCCN1CCN(/C(N)=N/CC(C)C)CC1
InChIInChI=1S/C12H26N4/c1-4-5-15-6-8-16(9-7-15)12(13)14-10-11(2)3/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyJSLPFVKUGCZTHD-UHFFFAOYSA-N
XLogP0.98
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.98
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'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide (CID 62360641) is N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide is CCCN1CCN(/C(N)=N/CC(C)C)CC1.
What is the InChIKey of N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide?
The InChIKey is JSLPFVKUGCZTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-4-5-15-6-8-16(9-7-15)12(13)14-10-11(2)3/h11H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide?
N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide has a molecular weight of 226.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 62360641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).