N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide

C9H19N3 — CID 146358873

IUPACN-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide
SMILESC=C(N/C(C)=N/C)C(C)NCC
InChIInChI=1S/C9H19N3/c1-6-11-7(2)8(3)12-9(4)10-5/h7,11H,3,6H2,1-2,4-5H3,(H,10,12)
InChIKeyLLSZGUHSFOKNFS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.14
Rot. Bonds4

About N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide

N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide (PubChem CID 146358873) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide
PubChem CID146358873
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide
SMILESC=C(N/C(C)=N/C)C(C)NCC
InChIInChI=1S/C9H19N3/c1-6-11-7(2)8(3)12-9(4)10-5/h7,11H,3,6H2,1-2,4-5H3,(H,10,12)
InChIKeyLLSZGUHSFOKNFS-UHFFFAOYSA-N
XLogP1.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide?
The IUPAC name of N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide (CID 146358873) is N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide.
What is the SMILES notation for N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide?
The canonical SMILES for N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide is C=C(N/C(C)=N/C)C(C)NCC.
What is the InChIKey of N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide?
The InChIKey is LLSZGUHSFOKNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-6-11-7(2)8(3)12-9(4)10-5/h7,11H,3,6H2,1-2,4-5H3,(H,10,12).
What are the key properties of N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide?
N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)but-1-en-2-yl]-N'-methylethanimidamide is sourced from PubChem (CID 146358873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).