N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide

C6H13N3 — CID 146270867

IUPACN-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide
SMILESC=C(CN)N/C(C)=N/C
InChIInChI=1S/C6H13N3/c1-5(4-7)9-6(2)8-3/h1,4,7H2,2-3H3,(H,8,9)
InChIKeyBYGCYWHESVUFIK-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.10
Rot. Bonds2

About N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide

N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide (PubChem CID 146270867) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide
PubChem CID146270867
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide
SMILESC=C(CN)N/C(C)=N/C
InChIInChI=1S/C6H13N3/c1-5(4-7)9-6(2)8-3/h1,4,7H2,2-3H3,(H,8,9)
InChIKeyBYGCYWHESVUFIK-UHFFFAOYSA-N
XLogP0.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.10
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-aminoprop-1-en-2-yl)-N'-methylethanimidamide?
The IUPAC name of N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide (CID 146270867) is N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide.
What is the SMILES notation for N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide?
The canonical SMILES for N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide is C=C(CN)N/C(C)=N/C.
What is the InChIKey of N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide?
The InChIKey is BYGCYWHESVUFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(4-7)9-6(2)8-3/h1,4,7H2,2-3H3,(H,8,9).
What are the key properties of N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide?
N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide is sourced from PubChem (CID 146270867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).