N'-amino-4-tert-butylpiperazine-1-carboximidamide

C9H21N5 — CID 77053990

IUPACN'-amino-4-tert-butylpiperazine-1-carboximidamide
SMILESCC(C)(C)N1CCN(C(N)=NN)CC1
InChIInChI=1S/C9H21N5/c1-9(2,3)14-6-4-13(5-7-14)8(10)12-11/h4-7,11H2,1-3H3,(H2,10,12)
InChIKeyDEHOVXTWEOVNQP-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.41
Rot. Bonds

About N'-amino-4-tert-butylpiperazine-1-carboximidamide

N'-amino-4-tert-butylpiperazine-1-carboximidamide (PubChem CID 77053990) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-amino-4-tert-butylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-tert-butylpiperazine-1-carboximidamide
PubChem CID77053990
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC NameN'-amino-4-tert-butylpiperazine-1-carboximidamide
SMILESCC(C)(C)N1CCN(C(N)=NN)CC1
InChIInChI=1S/C9H21N5/c1-9(2,3)14-6-4-13(5-7-14)8(10)12-11/h4-7,11H2,1-3H3,(H2,10,12)
InChIKeyDEHOVXTWEOVNQP-UHFFFAOYSA-N
XLogP-0.41
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-tert-butylpiperazine-1-carboximidamide?
The IUPAC name of N'-amino-4-tert-butylpiperazine-1-carboximidamide (CID 77053990) is N'-amino-4-tert-butylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-amino-4-tert-butylpiperazine-1-carboximidamide?
The canonical SMILES for N'-amino-4-tert-butylpiperazine-1-carboximidamide is CC(C)(C)N1CCN(C(N)=NN)CC1.
What is the InChIKey of N'-amino-4-tert-butylpiperazine-1-carboximidamide?
The InChIKey is DEHOVXTWEOVNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-9(2,3)14-6-4-13(5-7-14)8(10)12-11/h4-7,11H2,1-3H3,(H2,10,12).
What are the key properties of N'-amino-4-tert-butylpiperazine-1-carboximidamide?
N'-amino-4-tert-butylpiperazine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-tert-butylpiperazine-1-carboximidamide is sourced from PubChem (CID 77053990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).