N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide

C9H18N2 — CID 166774721

IUPACN-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide
SMILESC/C=C(/C)N/C=N/CC(C)C
InChIInChI=1S/C9H18N2/c1-5-9(4)11-7-10-6-8(2)3/h5,7-8H,6H2,1-4H3,(H,10,11)/b9-5-
InChIKeyXTDIILRJPSMJDA-UITAMQMPSA-N
MW154.26 g/mol
LogP2.18
Rot. Bonds4

About N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide

N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide (PubChem CID 166774721) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide
PubChem CID166774721
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide
SMILESC/C=C(/C)N/C=N/CC(C)C
InChIInChI=1S/C9H18N2/c1-5-9(4)11-7-10-6-8(2)3/h5,7-8H,6H2,1-4H3,(H,10,11)/b9-5-
InChIKeyXTDIILRJPSMJDA-UITAMQMPSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.18
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide (CID 166774721) is N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide is C/C=C(/C)N/C=N/CC(C)C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide?
The InChIKey is XTDIILRJPSMJDA-UITAMQMPSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9(4)11-7-10-6-8(2)3/h5,7-8H,6H2,1-4H3,(H,10,11)/b9-5-.
What are the key properties of N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide?
N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-N'-(2-methylpropyl)methanimidamide is sourced from PubChem (CID 166774721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).