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

C8H14N2 — CID 126657727

IUPACN'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide
SMILESC=C(/C=N/C=N/C)C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(3)5-10-6-9-4/h5-7H,3H2,1-2,4H3/b9-6+,10-5+
InChIKeyNPJUYNFCOMLZEY-TXFIJWAUSA-N
MW138.21 g/mol
LogP1.93
Rot. Bonds3

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

N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide (PubChem CID 126657727) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide
PubChem CID126657727
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide
SMILESC=C(/C=N/C=N/C)C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(3)5-10-6-9-4/h5-7H,3H2,1-2,4H3/b9-6+,10-5+
InChIKeyNPJUYNFCOMLZEY-TXFIJWAUSA-N
XLogP1.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.93
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-methyl-2-methylidenebutylidene)methanimidamide?
The IUPAC name of N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide (CID 126657727) is N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide?
The canonical SMILES for N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide is C=C(/C=N/C=N/C)C(C)C.
What is the InChIKey of N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide?
The InChIKey is NPJUYNFCOMLZEY-TXFIJWAUSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)8(3)5-10-6-9-4/h5-7H,3H2,1-2,4H3/b9-6+,10-5+.
What are the key properties of N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide?
N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide is sourced from PubChem (CID 126657727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).