2,6-dimethyloct-6-en-3-imine

C10H19N — CID 123208621

IUPAC2,6-dimethyloct-6-en-3-imine
SMILES[H]/N=C(\CCC(C)=CC)C(C)C
InChIInChI=1S/C10H19N/c1-5-9(4)6-7-10(11)8(2)3/h5,8,11H,6-7H2,1-4H3/b9-5?,11-10+
InChIKeySBJQIZQKAQAXFE-NTKHTPNBSA-N
MW153.27 g/mol
LogP3.41
Rot. Bonds4

About 2,6-dimethyloct-6-en-3-imine

2,6-dimethyloct-6-en-3-imine (PubChem CID 123208621) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,6-dimethyloct-6-en-3-imine.

Molecular Properties

Compound Name2,6-dimethyloct-6-en-3-imine
PubChem CID123208621
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,6-dimethyloct-6-en-3-imine
SMILES[H]/N=C(\CCC(C)=CC)C(C)C
InChIInChI=1S/C10H19N/c1-5-9(4)6-7-10(11)8(2)3/h5,8,11H,6-7H2,1-4H3/b9-5?,11-10+
InChIKeySBJQIZQKAQAXFE-NTKHTPNBSA-N
XLogP3.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
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

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
CID 143346611
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
5-Hexylbicyclo[2.2.1]hept-5-en-2-imine
CID 68426061
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloct-6-en-3-imine?
The IUPAC name of 2,6-dimethyloct-6-en-3-imine (CID 123208621) is 2,6-dimethyloct-6-en-3-imine.
What is the SMILES notation for 2,6-dimethyloct-6-en-3-imine?
The canonical SMILES for 2,6-dimethyloct-6-en-3-imine is [H]/N=C(\CCC(C)=CC)C(C)C.
What is the InChIKey of 2,6-dimethyloct-6-en-3-imine?
The InChIKey is SBJQIZQKAQAXFE-NTKHTPNBSA-N. The full InChI is InChI=1S/C10H19N/c1-5-9(4)6-7-10(11)8(2)3/h5,8,11H,6-7H2,1-4H3/b9-5?,11-10+.
What are the key properties of 2,6-dimethyloct-6-en-3-imine?
2,6-dimethyloct-6-en-3-imine has a molecular weight of 153.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloct-6-en-3-imine is sourced from PubChem (CID 123208621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).