2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide

C12H26N4 — CID 115415895

IUPAC2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide
SMILES[H]/N=C(/CC1CN(C)CCN1C)N(CC)CC
InChIInChI=1S/C12H26N4/c1-5-16(6-2)12(13)9-11-10-14(3)7-8-15(11)4/h11,13H,5-10H2,1-4H3/b13-12-
InChIKeyYMQSTICKQGQCEG-SEYXRHQNSA-N
MW226.37 g/mol
LogP0.94
Rot. Bonds4

About 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide

2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide (PubChem CID 115415895) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide
PubChem CID115415895
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide
SMILES[H]/N=C(/CC1CN(C)CCN1C)N(CC)CC
InChIInChI=1S/C12H26N4/c1-5-16(6-2)12(13)9-11-10-14(3)7-8-15(11)4/h11,13H,5-10H2,1-4H3/b13-12-
InChIKeyYMQSTICKQGQCEG-SEYXRHQNSA-N
XLogP0.94
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.94
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide (CID 115415895) is 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide is [H]/N=C(/CC1CN(C)CCN1C)N(CC)CC.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide?
The InChIKey is YMQSTICKQGQCEG-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H26N4/c1-5-16(6-2)12(13)9-11-10-14(3)7-8-15(11)4/h11,13H,5-10H2,1-4H3/b13-12-.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide?
2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide has a molecular weight of 226.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-N,N-diethylethanimidamide is sourced from PubChem (CID 115415895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).