N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide

C13H24N2 — CID 144648639

IUPACN-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide
SMILESC=C(/N=C/N=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10(12(3,4)5)14-9-15-11(2)13(6,7)8/h9H,1H2,2-8H3/b14-9+,15-11+
InChIKeySMUMJOXJZHYTNZ-YFVJMOTDSA-N
MW208.35 g/mol
LogP4.08
Rot. Bonds2

About N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide

N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide (PubChem CID 144648639) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide
PubChem CID144648639
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide
SMILESC=C(/N=C/N=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10(12(3,4)5)14-9-15-11(2)13(6,7)8/h9H,1H2,2-8H3/b14-9+,15-11+
InChIKeySMUMJOXJZHYTNZ-YFVJMOTDSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.08
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-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide?
The IUPAC name of N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide (CID 144648639) is N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide is C=C(/N=C/N=C(\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide?
The InChIKey is SMUMJOXJZHYTNZ-YFVJMOTDSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(12(3,4)5)14-9-15-11(2)13(6,7)8/h9H,1H2,2-8H3/b14-9+,15-11+.
What are the key properties of N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide?
N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide has a molecular weight of 208.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide is sourced from PubChem (CID 144648639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).