N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide

C8H14N2 — CID 134225164

IUPACN'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide
SMILESC=C(C)/C(C)=N/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-6(2)7(3)10-8(4)9-5/h1H2,2-5H3/b9-8+,10-7+
InChIKeyPNZTWJGJDCCBKE-DGLUDJRXSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds1

About N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide

N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide (PubChem CID 134225164) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide
PubChem CID134225164
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide
SMILESC=C(C)/C(C)=N/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-6(2)7(3)10-8(4)9-5/h1H2,2-5H3/b9-8+,10-7+
InChIKeyPNZTWJGJDCCBKE-DGLUDJRXSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
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'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide?
The IUPAC name of N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide (CID 134225164) is N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide is C=C(C)/C(C)=N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide?
The InChIKey is PNZTWJGJDCCBKE-DGLUDJRXSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)7(3)10-8(4)9-5/h1H2,2-5H3/b9-8+,10-7+.
What are the key properties of N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide?
N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide is sourced from PubChem (CID 134225164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).