2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine

C11H21N — CID 170077217

IUPAC2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine
SMILESC=CC(/C=N/C(C)C)CC(C)C
InChIInChI=1S/C11H21N/c1-6-11(7-9(2)3)8-12-10(4)5/h6,8-11H,1,7H2,2-5H3/b12-8+
InChIKeyDTHCTVFCONPIGH-XYOKQWHBSA-N
MW167.30 g/mol
LogP3.31
Rot. Bonds5

About 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine

2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine (PubChem CID 170077217) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine.

Molecular Properties

Compound Name2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine
PubChem CID170077217
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine
SMILESC=CC(/C=N/C(C)C)CC(C)C
InChIInChI=1S/C11H21N/c1-6-11(7-9(2)3)8-12-10(4)5/h6,8-11H,1,7H2,2-5H3/b12-8+
InChIKeyDTHCTVFCONPIGH-XYOKQWHBSA-N
XLogP3.31
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 ≤ 53.31
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 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine?
The IUPAC name of 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine (CID 170077217) is 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine.
What is the SMILES notation for 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine?
The canonical SMILES for 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine is C=CC(/C=N/C(C)C)CC(C)C.
What is the InChIKey of 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine?
The InChIKey is DTHCTVFCONPIGH-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H21N/c1-6-11(7-9(2)3)8-12-10(4)5/h6,8-11H,1,7H2,2-5H3/b12-8+.
What are the key properties of 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine?
2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine is sourced from PubChem (CID 170077217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).