4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide

C15H31N5O — CID 110963403

IUPAC4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)N(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H31N5O/c1-7-16-14(17-12-15(3,4)18(5)6)20-10-8-19(9-11-20)13(2)21/h7-12H2,1-6H3,(H,16,17)
InChIKeyKDDLSEVFUXWLMZ-UHFFFAOYSA-N
MW297.45 g/mol
LogP0.46
Rot. Bonds4

About 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide

4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide (PubChem CID 110963403) has the molecular formula C15H31N5O and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
PubChem CID110963403
Molecular FormulaC15H31N5O
Molecular Weight297.45 g/mol
Exact Mass297.25
IUPAC Name4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)N(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H31N5O/c1-7-16-14(17-12-15(3,4)18(5)6)20-10-8-19(9-11-20)13(2)21/h7-12H2,1-6H3,(H,16,17)
InChIKeyKDDLSEVFUXWLMZ-UHFFFAOYSA-N
XLogP0.46
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide
CID 110963225
4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963138
tert-butyl 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]acetate;hydroiodide
CID 111546954
4-acetyl-N-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]piperazine-1-carboximidamide
CID 110963025
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
4-acetyl-N'-[2-(3,4-dichlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
CID 110963119
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
4-acetyl-N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]piperazine-1-carboximidamide
CID 110963837
4-acetyl-N'-[2-(3-chlorophenyl)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide
CID 110962793
4-acetyl-N-ethyl-N'-(2-methylsulfanylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963440
4-acetyl-N-ethyl-N'-nonylpiperazine-1-carboximidamide;hydroiodide
CID 110963690
4-acetyl-N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]piperazine-1-carboximidamide;hydroiodide
CID 110963956

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide (CID 110963403) is 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide is CCN/C(=N\CC(C)(C)N(C)C)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide?
The InChIKey is KDDLSEVFUXWLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O/c1-7-16-14(17-12-15(3,4)18(5)6)20-10-8-19(9-11-20)13(2)21/h7-12H2,1-6H3,(H,16,17).
What are the key properties of 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide?
4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide has a molecular weight of 297.45 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(dimethylamino)-2-methylpropyl]-N-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 110963403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).