N'-propan-2-ylpiperazine-1-carboximidamide

C8H18N4 — CID 54317721

IUPACN'-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCNCC1
InChIInChI=1S/C8H18N4/c1-7(2)11-8(9)12-5-3-10-4-6-12/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeySPKOYMOQEJTBAR-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.39
Rot. Bonds1

About N'-propan-2-ylpiperazine-1-carboximidamide

N'-propan-2-ylpiperazine-1-carboximidamide (PubChem CID 54317721) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-propan-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-propan-2-ylpiperazine-1-carboximidamide
PubChem CID54317721
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN'-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCNCC1
InChIInChI=1S/C8H18N4/c1-7(2)11-8(9)12-5-3-10-4-6-12/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeySPKOYMOQEJTBAR-UHFFFAOYSA-N
XLogP-0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.39
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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Related Compounds

1-Piperazinecarboximidamide, N-cyano-N'-(1,1-dimethylethyl)-4-methyl-
CID 3050793
1,3-Diethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine
CID 53604504
N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide
CID 91599877
1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide
CID 101405087
4-N,4-N-dimethyl-2-N,1-di(propan-2-yl)-6-propan-2-ylimino-1,3,5-triazine-2,4-diamine
CID 101563952
N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967431
N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376105
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376205
N-ethyl-4-(1,1,1-trifluoropropan-2-yl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 109376304
N-ethyl-4-(1,1,1-trifluoropropan-2-yl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 109376305
N-ethyl-N'-[2-[ethyl(propan-2-yl)amino]ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376369
N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376408

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-propan-2-ylpiperazine-1-carboximidamide (CID 54317721) is N'-propan-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-propan-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-propan-2-ylpiperazine-1-carboximidamide is CC(C)/N=C(\N)N1CCNCC1.
What is the InChIKey of N'-propan-2-ylpiperazine-1-carboximidamide?
The InChIKey is SPKOYMOQEJTBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-7(2)11-8(9)12-5-3-10-4-6-12/h7,10H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of N'-propan-2-ylpiperazine-1-carboximidamide?
N'-propan-2-ylpiperazine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 54317721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).