N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide

C9H16N2 — CID 134350120

IUPACN'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide
SMILESC=CC(C)N/C=N/C/C=C\C
InChIInChI=1S/C9H16N2/c1-4-6-7-10-8-11-9(3)5-2/h4-6,8-9H,2,7H2,1,3H3,(H,10,11)/b6-4-
InChIKeyGXJIZNNTRKIJLB-XQRVVYSFSA-N
MW152.24 g/mol
LogP1.75
Rot. Bonds5

About N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide

N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide (PubChem CID 134350120) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide
PubChem CID134350120
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide
SMILESC=CC(C)N/C=N/C/C=C\C
InChIInChI=1S/C9H16N2/c1-4-6-7-10-8-11-9(3)5-2/h4-6,8-9H,2,7H2,1,3H3,(H,10,11)/b6-4-
InChIKeyGXJIZNNTRKIJLB-XQRVVYSFSA-N
XLogP1.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide?
The IUPAC name of N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide (CID 134350120) is N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide.
What is the SMILES notation for N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide?
The canonical SMILES for N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide is C=CC(C)N/C=N/C/C=C\C.
What is the InChIKey of N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide?
The InChIKey is GXJIZNNTRKIJLB-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-7-10-8-11-9(3)5-2/h4-6,8-9H,2,7H2,1,3H3,(H,10,11)/b6-4-.
What are the key properties of N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide?
N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide is sourced from PubChem (CID 134350120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).