N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide

C6H11N3 — CID 89335540

IUPACN'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C(\C)CN
InChIInChI=1S/C6H11N3/c1-6(3-7)4-9-5-8-2/h4-5H,2-3,7H2,1H3/b6-4+,9-5+
InChIKeyFALOXVJTBKZKAJ-REZHQCRGSA-N
MW125.17 g/mol
LogP0.58
Rot. Bonds3

About N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide

N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide (PubChem CID 89335540) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide
PubChem CID89335540
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C(\C)CN
InChIInChI=1S/C6H11N3/c1-6(3-7)4-9-5-8-2/h4-5H,2-3,7H2,1H3/b6-4+,9-5+
InChIKeyFALOXVJTBKZKAJ-REZHQCRGSA-N
XLogP0.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.58
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'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide (CID 89335540) is N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide is C=N/C=N/C=C(\C)CN.
What is the InChIKey of N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide?
The InChIKey is FALOXVJTBKZKAJ-REZHQCRGSA-N. The full InChI is InChI=1S/C6H11N3/c1-6(3-7)4-9-5-8-2/h4-5H,2-3,7H2,1H3/b6-4+,9-5+.
What are the key properties of N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide?
N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide is sourced from PubChem (CID 89335540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).