N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide

C8H15N3 — CID 170580907

IUPACN-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide
SMILESC=C/N=C/N/C(C)=N/C(C)C
InChIInChI=1S/C8H15N3/c1-5-9-6-10-8(4)11-7(2)3/h5-7H,1H2,2-4H3,(H,9,10,11)
InChIKeyHEJKIIQVXIICLJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.57
Rot. Bonds3

About N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide

N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide (PubChem CID 170580907) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide
PubChem CID170580907
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide
SMILESC=C/N=C/N/C(C)=N/C(C)C
InChIInChI=1S/C8H15N3/c1-5-9-6-10-8(4)11-7(2)3/h5-7H,1H2,2-4H3,(H,9,10,11)
InChIKeyHEJKIIQVXIICLJ-UHFFFAOYSA-N
XLogP1.57
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
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-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide?
The IUPAC name of N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide (CID 170580907) is N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide.
What is the SMILES notation for N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide?
The canonical SMILES for N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide is C=C/N=C/N/C(C)=N/C(C)C.
What is the InChIKey of N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide?
The InChIKey is HEJKIIQVXIICLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-9-6-10-8(4)11-7(2)3/h5-7H,1H2,2-4H3,(H,9,10,11).
What are the key properties of N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide?
N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 170580907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).