N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine

C13H24N2 — CID 166648770

IUPACN-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine
SMILESC=N/C(=C\N=C(/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10(12(2,3)4)15-9-11(14-8)13(5,6)7/h9H,8H2,1-7H3/b11-9-,15-10+
InChIKeyCTGBHJXEERIGNH-LFHBGGBDSA-N
MW208.35 g/mol
LogP4.08
Rot. Bonds2

About N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine

N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine (PubChem CID 166648770) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine
PubChem CID166648770
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine
SMILESC=N/C(=C\N=C(/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10(12(2,3)4)15-9-11(14-8)13(5,6)7/h9H,8H2,1-7H3/b11-9-,15-10+
InChIKeyCTGBHJXEERIGNH-LFHBGGBDSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine?
The IUPAC name of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine (CID 166648770) is N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine.
What is the SMILES notation for N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine?
The canonical SMILES for N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine is C=N/C(=C\N=C(/C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine?
The InChIKey is CTGBHJXEERIGNH-LFHBGGBDSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(12(2,3)4)15-9-11(14-8)13(5,6)7/h9H,8H2,1-7H3/b11-9-,15-10+.
What are the key properties of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine?
N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine has a molecular weight of 208.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 166648770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).