N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine

C15H25N — CID 123515738

IUPACN-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine
SMILESC=CCC=CC(C)(C)CC=CC/C=N/CC
InChIInChI=1S/C15H25N/c1-5-7-9-12-15(3,4)13-10-8-11-14-16-6-2/h5,8-10,12,14H,1,6-7,11,13H2,2-4H3/b10-8?,12-9?,16-14+
InChIKeyNCZLHVWESRASPM-KYUWWUPWSA-N
MW219.37 g/mol
LogP4.57
Rot. Bonds8

About N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine

N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine (PubChem CID 123515738) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine.

Molecular Properties

Compound NameN-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine
PubChem CID123515738
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine
SMILESC=CCC=CC(C)(C)CC=CC/C=N/CC
InChIInChI=1S/C15H25N/c1-5-7-9-12-15(3,4)13-10-8-11-14-16-6-2/h5,8-10,12,14H,1,6-7,11,13H2,2-4H3/b10-8?,12-9?,16-14+
InChIKeyNCZLHVWESRASPM-KYUWWUPWSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.57
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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Related Compounds

N-tert-butyl-2,2-dimethylpent-4-en-1-imine
CID 10855875
2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine
CID 12064035
N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine
CID 178088574
(1E)-3,3-Dimethyl-N-(2-methylpropyl)pent-4-en-1-imine
CID 13119721
(E)-N-ethyl-3,4,4-trimethylpent-2-en-1-imine
CID 14919831
(4Z,8Z)-2-ethyl-11,11-dimethyl-1-azacyclododeca-4,8,12-triene
CID 20405351
(4Z,8Z)-1-azacyclododeca-4,8,12-triene
CID 20405358
(4Z,8Z)-2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene
CID 20436152
(4Z,8Z)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 20436153
(4Z,8Z)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 20537987
5-ethenyl-3,5-diethyl-2H-pyridine
CID 21445150
(4E,8E)-2-ethyl-11,11-dimethyl-1-azacyclododeca-4,8,12-triene
CID 22811539

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine?
The IUPAC name of N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine (CID 123515738) is N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine.
What is the SMILES notation for N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine?
The canonical SMILES for N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine is C=CCC=CC(C)(C)CC=CC/C=N/CC.
What is the InChIKey of N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine?
The InChIKey is NCZLHVWESRASPM-KYUWWUPWSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-9-12-15(3,4)13-10-8-11-14-16-6-2/h5,8-10,12,14H,1,6-7,11,13H2,2-4H3/b10-8?,12-9?,16-14+.
What are the key properties of N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine?
N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine has a molecular weight of 219.37 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6-dimethylundeca-3,7,10-trien-1-imine is sourced from PubChem (CID 123515738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).