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

C7H13N3 — CID 134533926

IUPACN'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C=C(\C)CN
InChIInChI=1S/C7H13N3/c1-6(4-8)5-10-7(2)9-3/h5H,3-4,8H2,1-2H3/b6-5+,10-7+
InChIKeyRBXUFVZULFYAHD-WEYXYWBQSA-N
MW139.20 g/mol
LogP0.97
Rot. Bonds2

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

N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide (PubChem CID 134533926) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide
PubChem CID134533926
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C=C(\C)CN
InChIInChI=1S/C7H13N3/c1-6(4-8)5-10-7(2)9-3/h5H,3-4,8H2,1-2H3/b6-5+,10-7+
InChIKeyRBXUFVZULFYAHD-WEYXYWBQSA-N
XLogP0.97
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.97
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-methylideneethanimidamide?
The IUPAC name of N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide (CID 134533926) is N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide?
The canonical SMILES for N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide is C=N/C(C)=N/C=C(\C)CN.
What is the InChIKey of N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide?
The InChIKey is RBXUFVZULFYAHD-WEYXYWBQSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(4-8)5-10-7(2)9-3/h5H,3-4,8H2,1-2H3/b6-5+,10-7+.
What are the key properties of N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide?
N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylideneethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.97, 2 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-methylideneethanimidamide is sourced from PubChem (CID 134533926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).