3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine

C11H21N — CID 13119721

IUPAC3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine
SMILESC=CC(C)(C)C/C=N/CC(C)C
InChIInChI=1S/C11H21N/c1-6-11(4,5)7-8-12-9-10(2)3/h6,8,10H,1,7,9H2,2-5H3/b12-8+
InChIKeySLLKBJJPVMGUJX-XYOKQWHBSA-N
MW167.30 g/mol
LogP3.32
Rot. Bonds5

About 3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine

3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine (PubChem CID 13119721) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine
PubChem CID13119721
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine
SMILESC=CC(C)(C)C/C=N/CC(C)C
InChIInChI=1S/C11H21N/c1-6-11(4,5)7-8-12-9-10(2)3/h6,8,10H,1,7,9H2,2-5H3/b12-8+
InChIKeySLLKBJJPVMGUJX-XYOKQWHBSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine (CID 13119721) is 3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine is C=CC(C)(C)C/C=N/CC(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine?
The InChIKey is SLLKBJJPVMGUJX-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H21N/c1-6-11(4,5)7-8-12-9-10(2)3/h6,8,10H,1,7,9H2,2-5H3/b12-8+.
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine?
3,3-dimethyl-N-(2-methylpropyl)pent-4-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.32, 5 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-methylpropyl)pent-4-en-1-imine is sourced from PubChem (CID 13119721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).