N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide

C6H13N3 — CID 134366012

IUPACN'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide
SMILESCN/C(C)=C/N=C(\C)N
InChIInChI=1S/C6H13N3/c1-5(8-3)4-9-6(2)7/h4,8H,1-3H3,(H2,7,9)/b5-4+
InChIKeyIOVCQAMRRCWBCG-SNAWJCMRSA-N
MW127.19 g/mol
LogP0.44
Rot. Bonds2

About N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide

N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide (PubChem CID 134366012) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide
PubChem CID134366012
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide
SMILESCN/C(C)=C/N=C(\C)N
InChIInChI=1S/C6H13N3/c1-5(8-3)4-9-6(2)7/h4,8H,1-3H3,(H2,7,9)/b5-4+
InChIKeyIOVCQAMRRCWBCG-SNAWJCMRSA-N
XLogP0.44
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 ≤ 50.44
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-(methylamino)prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide (CID 134366012) is N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide is CN/C(C)=C/N=C(\C)N.
What is the InChIKey of N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide?
The InChIKey is IOVCQAMRRCWBCG-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(8-3)4-9-6(2)7/h4,8H,1-3H3,(H2,7,9)/b5-4+.
What are the key properties of N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide?
N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide is sourced from PubChem (CID 134366012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).