N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide

C11H24N4 — CID 118970815

IUPACN-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
SMILESC=CN/C(CN(C)CCNC)=N\CCC
InChIInChI=1S/C11H24N4/c1-5-7-14-11(13-6-2)10-15(4)9-8-12-3/h6,12H,2,5,7-10H2,1,3-4H3,(H,13,14)
InChIKeyGKYXCCKYCVDNAH-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.68
Rot. Bonds8

About N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide

N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide (PubChem CID 118970815) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
PubChem CID118970815
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC NameN-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
SMILESC=CN/C(CN(C)CCNC)=N\CCC
InChIInChI=1S/C11H24N4/c1-5-7-14-11(13-6-2)10-15(4)9-8-12-3/h6,12H,2,5,7-10H2,1,3-4H3,(H,13,14)
InChIKeyGKYXCCKYCVDNAH-UHFFFAOYSA-N
XLogP0.68
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
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-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide?
The IUPAC name of N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide (CID 118970815) is N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide.
What is the SMILES notation for N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide?
The canonical SMILES for N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide is C=CN/C(CN(C)CCNC)=N\CCC.
What is the InChIKey of N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide?
The InChIKey is GKYXCCKYCVDNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-5-7-14-11(13-6-2)10-15(4)9-8-12-3/h6,12H,2,5,7-10H2,1,3-4H3,(H,13,14).
What are the key properties of N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide?
N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide has a molecular weight of 212.34 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide is sourced from PubChem (CID 118970815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).