N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine

C11H19N — CID 166775467

IUPACN-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine
SMILESC=C(CC)/N=C/C(=C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-10(3)12-8-9(2)11(4,5)6/h8H,2-3,7H2,1,4-6H3/b12-8+
InChIKeyOXXJZFDNHWQTJW-XYOKQWHBSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds3

About N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine

N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine (PubChem CID 166775467) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine.

Molecular Properties

Compound NameN-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine
PubChem CID166775467
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine
SMILESC=C(CC)/N=C/C(=C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-10(3)12-8-9(2)11(4,5)6/h8H,2-3,7H2,1,4-6H3/b12-8+
InChIKeyOXXJZFDNHWQTJW-XYOKQWHBSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine?
The IUPAC name of N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine (CID 166775467) is N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine.
What is the SMILES notation for N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine?
The canonical SMILES for N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine is C=C(CC)/N=C/C(=C)C(C)(C)C.
What is the InChIKey of N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine?
The InChIKey is OXXJZFDNHWQTJW-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19N/c1-7-10(3)12-8-9(2)11(4,5)6/h8H,2-3,7H2,1,4-6H3/b12-8+.
What are the key properties of N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine?
N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine is sourced from PubChem (CID 166775467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).