N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide

C9H14N2 — CID 138532983

IUPACN'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide
SMILESC=C/N=C/N=C/C(=C)C(C)C
InChIInChI=1S/C9H14N2/c1-5-10-7-11-6-9(4)8(2)3/h5-8H,1,4H2,2-3H3/b10-7+,11-6+
InChIKeyGJMRQTLSPFBLKD-NXAIOARDSA-N
MW150.22 g/mol
LogP2.44
Rot. Bonds4

About N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide

N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide (PubChem CID 138532983) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide
PubChem CID138532983
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide
SMILESC=C/N=C/N=C/C(=C)C(C)C
InChIInChI=1S/C9H14N2/c1-5-10-7-11-6-9(4)8(2)3/h5-8H,1,4H2,2-3H3/b10-7+,11-6+
InChIKeyGJMRQTLSPFBLKD-NXAIOARDSA-N
XLogP2.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.44
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'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide?
The IUPAC name of N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide (CID 138532983) is N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide.
What is the SMILES notation for N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide?
The canonical SMILES for N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide is C=C/N=C/N=C/C(=C)C(C)C.
What is the InChIKey of N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide?
The InChIKey is GJMRQTLSPFBLKD-NXAIOARDSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-10-7-11-6-9(4)8(2)3/h5-8H,1,4H2,2-3H3/b10-7+,11-6+.
What are the key properties of N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide?
N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide has a molecular weight of 150.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide is sourced from PubChem (CID 138532983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).