N,5,6-trimethyloct-5-en-4-imine

C11H21N — CID 123876539

IUPACN,5,6-trimethyloct-5-en-4-imine
SMILESCCC/C(=N\C)C(C)=C(C)CC
InChIInChI=1S/C11H21N/c1-6-8-11(12-5)10(4)9(3)7-2/h6-8H2,1-5H3/b10-9?,12-11+
InChIKeyNKWWMBJRHYFEQJ-HDNPOCAZSA-N
MW167.30 g/mol
LogP3.60
Rot. Bonds4

About N,5,6-trimethyloct-5-en-4-imine

N,5,6-trimethyloct-5-en-4-imine (PubChem CID 123876539) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,5,6-trimethyloct-5-en-4-imine.

Molecular Properties

Compound NameN,5,6-trimethyloct-5-en-4-imine
PubChem CID123876539
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,5,6-trimethyloct-5-en-4-imine
SMILESCCC/C(=N\C)C(C)=C(C)CC
InChIInChI=1S/C11H21N/c1-6-8-11(12-5)10(4)9(3)7-2/h6-8H2,1-5H3/b10-9?,12-11+
InChIKeyNKWWMBJRHYFEQJ-HDNPOCAZSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518
(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
4-Fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine
CID 90846019
6-Ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine
CID 91588124
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
(E)-N-methyl-5-(trifluoromethyl)oct-5-en-4-imine
CID 144144882
(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
CID 144510980
1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine
CID 18739815
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine
CID 20681042

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyloct-5-en-4-imine?
The IUPAC name of N,5,6-trimethyloct-5-en-4-imine (CID 123876539) is N,5,6-trimethyloct-5-en-4-imine.
What is the SMILES notation for N,5,6-trimethyloct-5-en-4-imine?
The canonical SMILES for N,5,6-trimethyloct-5-en-4-imine is CCC/C(=N\C)C(C)=C(C)CC.
What is the InChIKey of N,5,6-trimethyloct-5-en-4-imine?
The InChIKey is NKWWMBJRHYFEQJ-HDNPOCAZSA-N. The full InChI is InChI=1S/C11H21N/c1-6-8-11(12-5)10(4)9(3)7-2/h6-8H2,1-5H3/b10-9?,12-11+.
What are the key properties of N,5,6-trimethyloct-5-en-4-imine?
N,5,6-trimethyloct-5-en-4-imine has a molecular weight of 167.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyloct-5-en-4-imine is sourced from PubChem (CID 123876539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).