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

C9H17N3 — CID 155370833

IUPAC2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(CN)=N/C=C(\C)C(C)C
InChIInChI=1S/C9H17N3/c1-7(2)8(3)6-12-9(5-10)11-4/h6-7H,4-5,10H2,1-3H3/b8-6+,12-9+
InChIKeyQQZJGQRAOSYAOW-CPQOCIIQSA-N
MW167.26 g/mol
LogP1.60
Rot. Bonds3

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

2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide (PubChem CID 155370833) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide.

Molecular Properties

Compound Name2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide
PubChem CID155370833
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(CN)=N/C=C(\C)C(C)C
InChIInChI=1S/C9H17N3/c1-7(2)8(3)6-12-9(5-10)11-4/h6-7H,4-5,10H2,1-3H3/b8-6+,12-9+
InChIKeyQQZJGQRAOSYAOW-CPQOCIIQSA-N
XLogP1.60
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.60
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 2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide?
The IUPAC name of 2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide (CID 155370833) is 2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide.
What is the SMILES notation for 2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide?
The canonical SMILES for 2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide is C=N/C(CN)=N/C=C(\C)C(C)C.
What is the InChIKey of 2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide?
The InChIKey is QQZJGQRAOSYAOW-CPQOCIIQSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)8(3)6-12-9(5-10)11-4/h6-7H,4-5,10H2,1-3H3/b8-6+,12-9+.
What are the key properties of 2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide?
2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylideneethanimidamide is sourced from PubChem (CID 155370833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).