2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide

C10H18N2 — CID 134504186

IUPAC2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide
SMILES[H]/N=C(\N=C\C(C)=C/C)C(C)CC
InChIInChI=1S/C10H18N2/c1-5-8(3)7-12-10(11)9(4)6-2/h5,7,9,11H,6H2,1-4H3/b8-5-,11-10-,12-7+
InChIKeyROOKWMTXAICHFE-YTNBPLKGSA-N
MW166.27 g/mol
LogP3.05
Rot. Bonds3

About 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide

2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide (PubChem CID 134504186) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide
PubChem CID134504186
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide
SMILES[H]/N=C(\N=C\C(C)=C/C)C(C)CC
InChIInChI=1S/C10H18N2/c1-5-8(3)7-12-10(11)9(4)6-2/h5,7,9,11H,6H2,1-4H3/b8-5-,11-10-,12-7+
InChIKeyROOKWMTXAICHFE-YTNBPLKGSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.05
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 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide?
The IUPAC name of 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide (CID 134504186) is 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide.
What is the SMILES notation for 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide?
The canonical SMILES for 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide is [H]/N=C(\N=C\C(C)=C/C)C(C)CC.
What is the InChIKey of 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide?
The InChIKey is ROOKWMTXAICHFE-YTNBPLKGSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-8(3)7-12-10(11)9(4)6-2/h5,7,9,11H,6H2,1-4H3/b8-5-,11-10-,12-7+.
What are the key properties of 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide?
2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide has a molecular weight of 166.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-2-methylbut-2-enylidene]butanimidamide is sourced from PubChem (CID 134504186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).