N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide

C9H21N5O — CID 104883423

IUPACN-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCN(CCO)CC1
InChIInChI=1S/C9H21N5O/c1-2-11-9(12-10)14-5-3-13(4-6-14)7-8-15/h15H,2-8,10H2,1H3,(H,11,12)
InChIKeySYAAEGBJFIJMKV-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.56
Rot. Bonds3

About N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide

N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide (PubChem CID 104883423) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide
PubChem CID104883423
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC NameN-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCN(CCO)CC1
InChIInChI=1S/C9H21N5O/c1-2-11-9(12-10)14-5-3-13(4-6-14)7-8-15/h15H,2-8,10H2,1H3,(H,11,12)
InChIKeySYAAEGBJFIJMKV-UHFFFAOYSA-N
XLogP-1.56
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

N-amino-N'-ethyl-4-methylpiperazine-1-carboximidamide
CID 104883273
N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide
CID 104883153
N-amino-N'-propan-2-yl-4-propylpiperazine-1-carboximidamide
CID 104883166
N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide
CID 116512785
N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide
CID 116512806
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 2759311
2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
CID 79810112
2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide
CID 76920521
N-amino-N'-(3-ethoxypropyl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882583

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide (CID 104883423) is N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide is CC/N=C(\NN)N1CCN(CCO)CC1.
What is the InChIKey of N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide?
The InChIKey is SYAAEGBJFIJMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-2-11-9(12-10)14-5-3-13(4-6-14)7-8-15/h15H,2-8,10H2,1H3,(H,11,12).
What are the key properties of N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide?
N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide has a molecular weight of 215.30 g/mol, XLogP of -1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104883423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).