N-(2-butan-2-ylhex-5-enyl)methanimine

C11H21N — CID 123155097

IUPACN-(2-butan-2-ylhex-5-enyl)methanimine
SMILESC=CCCC(CN=C)C(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-11(9-12-4)10(3)6-2/h5,10-11H,1,4,6-9H2,2-3H3
InChIKeyOZELGSWUTOVTDJ-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.32
Rot. Bonds7

About N-(2-butan-2-ylhex-5-enyl)methanimine

N-(2-butan-2-ylhex-5-enyl)methanimine (PubChem CID 123155097) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(2-butan-2-ylhex-5-enyl)methanimine.

Molecular Properties

Compound NameN-(2-butan-2-ylhex-5-enyl)methanimine
PubChem CID123155097
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(2-butan-2-ylhex-5-enyl)methanimine
SMILESC=CCCC(CN=C)C(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-11(9-12-4)10(3)6-2/h5,10-11H,1,4,6-9H2,2-3H3
InChIKeyOZELGSWUTOVTDJ-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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 N-(2-butan-2-ylhex-5-enyl)methanimine?
The IUPAC name of N-(2-butan-2-ylhex-5-enyl)methanimine (CID 123155097) is N-(2-butan-2-ylhex-5-enyl)methanimine.
What is the SMILES notation for N-(2-butan-2-ylhex-5-enyl)methanimine?
The canonical SMILES for N-(2-butan-2-ylhex-5-enyl)methanimine is C=CCCC(CN=C)C(C)CC.
What is the InChIKey of N-(2-butan-2-ylhex-5-enyl)methanimine?
The InChIKey is OZELGSWUTOVTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-11(9-12-4)10(3)6-2/h5,10-11H,1,4,6-9H2,2-3H3.
What are the key properties of N-(2-butan-2-ylhex-5-enyl)methanimine?
N-(2-butan-2-ylhex-5-enyl)methanimine has a molecular weight of 167.30 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylhex-5-enyl)methanimine is sourced from PubChem (CID 123155097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).