N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide

C9H18N2 — CID 139818255

IUPACN,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESCC(C)=C(C)/N=C(\C)N(C)C
InChIInChI=1S/C9H18N2/c1-7(2)8(3)10-9(4)11(5)6/h1-6H3/b10-9+
InChIKeyCPMDQSLIJVYDGL-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds1

About N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide

N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide (PubChem CID 139818255) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
PubChem CID139818255
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESCC(C)=C(C)/N=C(\C)N(C)C
InChIInChI=1S/C9H18N2/c1-7(2)8(3)10-9(4)11(5)6/h1-6H3/b10-9+
InChIKeyCPMDQSLIJVYDGL-MDZDMXLPSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
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,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The IUPAC name of N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide (CID 139818255) is N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide is CC(C)=C(C)/N=C(\C)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The InChIKey is CPMDQSLIJVYDGL-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)8(3)10-9(4)11(5)6/h1-6H3/b10-9+.
What are the key properties of N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide is sourced from PubChem (CID 139818255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).