N,3-dimethyl-6-methylideneoct-3-en-2-imine

C11H19N — CID 91259001

IUPACN,3-dimethyl-6-methylideneoct-3-en-2-imine
SMILESC=C(CC)CC=C(C)/C(C)=N/C
InChIInChI=1S/C11H19N/c1-6-9(2)7-8-10(3)11(4)12-5/h8H,2,6-7H2,1,3-5H3/b10-8?,12-11+
InChIKeyXNKLLNHVFLODCC-OPLIEGRNSA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds4

About N,3-dimethyl-6-methylideneoct-3-en-2-imine

N,3-dimethyl-6-methylideneoct-3-en-2-imine (PubChem CID 91259001) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,3-dimethyl-6-methylideneoct-3-en-2-imine.

Molecular Properties

Compound NameN,3-dimethyl-6-methylideneoct-3-en-2-imine
PubChem CID91259001
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,3-dimethyl-6-methylideneoct-3-en-2-imine
SMILESC=C(CC)CC=C(C)/C(C)=N/C
InChIInChI=1S/C11H19N/c1-6-9(2)7-8-10(3)11(4)12-5/h8H,2,6-7H2,1,3-5H3/b10-8?,12-11+
InChIKeyXNKLLNHVFLODCC-OPLIEGRNSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
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

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
(E)-3-(2-fluoropropan-2-yl)-N-methylpent-3-en-2-imine
CID 123828931
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356073
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356202
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 166896627
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-methylideneoct-3-en-2-imine?
The IUPAC name of N,3-dimethyl-6-methylideneoct-3-en-2-imine (CID 91259001) is N,3-dimethyl-6-methylideneoct-3-en-2-imine.
What is the SMILES notation for N,3-dimethyl-6-methylideneoct-3-en-2-imine?
The canonical SMILES for N,3-dimethyl-6-methylideneoct-3-en-2-imine is C=C(CC)CC=C(C)/C(C)=N/C.
What is the InChIKey of N,3-dimethyl-6-methylideneoct-3-en-2-imine?
The InChIKey is XNKLLNHVFLODCC-OPLIEGRNSA-N. The full InChI is InChI=1S/C11H19N/c1-6-9(2)7-8-10(3)11(4)12-5/h8H,2,6-7H2,1,3-5H3/b10-8?,12-11+.
What are the key properties of N,3-dimethyl-6-methylideneoct-3-en-2-imine?
N,3-dimethyl-6-methylideneoct-3-en-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-methylideneoct-3-en-2-imine is sourced from PubChem (CID 91259001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).