N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide

C13H26N4 — CID 143703271

IUPACN'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide
SMILESC=C/N=C/N(C)CCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N4/c1-5-14-12-15(4)6-7-16-8-10-17(11-9-16)13(2)3/h5,12-13H,1,6-11H2,2-4H3/b14-12+
InChIKeyUHPFVRVLAVWGQY-WYMLVPIESA-N
MW238.38 g/mol
LogP1.12
Rot. Bonds6

About N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide

N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide (PubChem CID 143703271) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide
PubChem CID143703271
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide
SMILESC=C/N=C/N(C)CCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N4/c1-5-14-12-15(4)6-7-16-8-10-17(11-9-16)13(2)3/h5,12-13H,1,6-11H2,2-4H3/b14-12+
InChIKeyUHPFVRVLAVWGQY-WYMLVPIESA-N
XLogP1.12
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
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 N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide?
The IUPAC name of N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide (CID 143703271) is N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide.
What is the SMILES notation for N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide?
The canonical SMILES for N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide is C=C/N=C/N(C)CCN1CCN(C(C)C)CC1.
What is the InChIKey of N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide?
The InChIKey is UHPFVRVLAVWGQY-WYMLVPIESA-N. The full InChI is InChI=1S/C13H26N4/c1-5-14-12-15(4)6-7-16-8-10-17(11-9-16)13(2)3/h5,12-13H,1,6-11H2,2-4H3/b14-12+.
What are the key properties of N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide?
N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide has a molecular weight of 238.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]methanimidamide is sourced from PubChem (CID 143703271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).