N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide

C6H13N3 — CID 134365968

IUPACN-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide
SMILESC/N=C(\C)N/C=C(\C)N
InChIInChI=1S/C6H13N3/c1-5(7)4-9-6(2)8-3/h4H,7H2,1-3H3,(H,8,9)/b5-4+
InChIKeyGGGVUEWSZXTBRX-SNAWJCMRSA-N
MW127.19 g/mol
LogP0.44
Rot. Bonds1

About N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide

N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide (PubChem CID 134365968) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide
PubChem CID134365968
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide
SMILESC/N=C(\C)N/C=C(\C)N
InChIInChI=1S/C6H13N3/c1-5(7)4-9-6(2)8-3/h4H,7H2,1-3H3,(H,8,9)/b5-4+
InChIKeyGGGVUEWSZXTBRX-SNAWJCMRSA-N
XLogP0.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.44
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-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide?
The IUPAC name of N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide (CID 134365968) is N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide is C/N=C(\C)N/C=C(\C)N.
What is the InChIKey of N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide?
The InChIKey is GGGVUEWSZXTBRX-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(7)4-9-6(2)8-3/h4H,7H2,1-3H3,(H,8,9)/b5-4+.
What are the key properties of N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide?
N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide is sourced from PubChem (CID 134365968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).