(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide

C10H18N2 — CID 166739630

IUPAC(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide
SMILES[H]/N=C(C(\C)=C/C)/N(C)C(=C)CC
InChIInChI=1S/C10H18N2/c1-6-8(3)10(11)12(5)9(4)7-2/h6,11H,4,7H2,1-3,5H3/b8-6-,11-10+
InChIKeyPQIPSHMGDOXAMP-FEVLKHHISA-N
MW166.27 g/mol
LogP2.79
Rot. Bonds3

About (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide

(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide (PubChem CID 166739630) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide
PubChem CID166739630
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide
SMILES[H]/N=C(C(\C)=C/C)/N(C)C(=C)CC
InChIInChI=1S/C10H18N2/c1-6-8(3)10(11)12(5)9(4)7-2/h6,11H,4,7H2,1-3,5H3/b8-6-,11-10+
InChIKeyPQIPSHMGDOXAMP-FEVLKHHISA-N
XLogP2.79
TPSA27.09 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 ≤ 52.79
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 (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide?
The IUPAC name of (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide (CID 166739630) is (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide.
What is the SMILES notation for (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide?
The canonical SMILES for (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide is [H]/N=C(C(\C)=C/C)/N(C)C(=C)CC.
What is the InChIKey of (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide?
The InChIKey is PQIPSHMGDOXAMP-FEVLKHHISA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8(3)10(11)12(5)9(4)7-2/h6,11H,4,7H2,1-3,5H3/b8-6-,11-10+.
What are the key properties of (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide?
(Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-but-1-en-2-yl-N,2-dimethylbut-2-enimidamide is sourced from PubChem (CID 166739630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).