3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine

C14H27N — CID 130187403

IUPAC3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine
SMILESCC(C)=C(/N=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-10(2)12(14(7,8)9)15-11(3)13(4,5)6/h1-9H3/b15-11+
InChIKeyKWJZVGCLQCFZNL-RVDMUPIBSA-N
MW209.38 g/mol
LogP4.83
Rot. Bonds1

About 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine

3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine (PubChem CID 130187403) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine
PubChem CID130187403
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine
SMILESCC(C)=C(/N=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-10(2)12(14(7,8)9)15-11(3)13(4,5)6/h1-9H3/b15-11+
InChIKeyKWJZVGCLQCFZNL-RVDMUPIBSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.83
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 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine?
The IUPAC name of 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine (CID 130187403) is 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine.
What is the SMILES notation for 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine?
The canonical SMILES for 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine is CC(C)=C(/N=C(\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine?
The InChIKey is KWJZVGCLQCFZNL-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)12(14(7,8)9)15-11(3)13(4,5)6/h1-9H3/b15-11+.
What are the key properties of 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine?
3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine has a molecular weight of 209.38 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine is sourced from PubChem (CID 130187403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).