N-(2-methylidenebutylidene)ethanimidamide

C7H12N2 — CID 123350052

IUPACN-(2-methylidenebutylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C/C(=C)CC
InChIInChI=1S/C7H12N2/c1-4-6(2)5-9-7(3)8/h5,8H,2,4H2,1,3H3/b8-7+,9-5+
InChIKeyVMYUCPDLTYPEEW-DMQCZMPNSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds2

About N-(2-methylidenebutylidene)ethanimidamide

N-(2-methylidenebutylidene)ethanimidamide (PubChem CID 123350052) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-(2-methylidenebutylidene)ethanimidamide.

Molecular Properties

Compound NameN-(2-methylidenebutylidene)ethanimidamide
PubChem CID123350052
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-(2-methylidenebutylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C/C(=C)CC
InChIInChI=1S/C7H12N2/c1-4-6(2)5-9-7(3)8/h5,8H,2,4H2,1,3H3/b8-7+,9-5+
InChIKeyVMYUCPDLTYPEEW-DMQCZMPNSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
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 N-(2-methylidenebutylidene)ethanimidamide?
The IUPAC name of N-(2-methylidenebutylidene)ethanimidamide (CID 123350052) is N-(2-methylidenebutylidene)ethanimidamide.
What is the SMILES notation for N-(2-methylidenebutylidene)ethanimidamide?
The canonical SMILES for N-(2-methylidenebutylidene)ethanimidamide is [H]/N=C(C)/N=C/C(=C)CC.
What is the InChIKey of N-(2-methylidenebutylidene)ethanimidamide?
The InChIKey is VMYUCPDLTYPEEW-DMQCZMPNSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6(2)5-9-7(3)8/h5,8H,2,4H2,1,3H3/b8-7+,9-5+.
What are the key properties of N-(2-methylidenebutylidene)ethanimidamide?
N-(2-methylidenebutylidene)ethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutylidene)ethanimidamide is sourced from PubChem (CID 123350052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).