3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine

C15H29N — CID 123178237

IUPAC3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine
SMILES[H]/N=C(\C(=C)C(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C15H29N/c1-8-14(6,9-2)12(5)13(16)15(7,10-3)11-4/h16H,5,8-11H2,1-4,6-7H3/b16-13+
InChIKeyACQBYQGBPMALOU-DTQAZKPQSA-N
MW223.40 g/mol
LogP5.21
Rot. Bonds7

About 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine

3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine (PubChem CID 123178237) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine.

Molecular Properties

Compound Name3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine
PubChem CID123178237
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine
SMILES[H]/N=C(\C(=C)C(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C15H29N/c1-8-14(6,9-2)12(5)13(16)15(7,10-3)11-4/h16H,5,8-11H2,1-4,6-7H3/b16-13+
InChIKeyACQBYQGBPMALOU-DTQAZKPQSA-N
XLogP5.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-Trimethylhepta-4,5-dien-3-imine
CID 89244188
6-Ethyl-4,7-dimethyloct-7-en-2-imine
CID 123222470
6-Methyl-7-methylidenecycloundecan-1-imine
CID 123369621
3,3,5,5,6-Pentamethylhept-6-en-2-imine
CID 123379673
1-(4,4-Dimethylcyclohexen-1-yl)ethanimine
CID 123595548
3-Butyl-3-ethenylheptan-2-imine
CID 123738130
6-Methyl-5-methylideneoctan-2-imine
CID 123962275
7,9-Dimethyltrideca-1,2-dien-4-imine
CID 124034201
4,4,5-Trimethyl-3-methylidenehex-5-en-2-imine
CID 126481346
(9S)-3,9,10-trimethylundeca-1,2,10-trien-4-imine
CID 126592719
(8S)-2,8,9-trimethyldeca-1,9-dien-3-imine
CID 126592939
3-Ethenyl-3,8-dimethylnonan-2-imine
CID 137398067

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine?
The IUPAC name of 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine (CID 123178237) is 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine.
What is the SMILES notation for 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine?
The canonical SMILES for 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine is [H]/N=C(\C(=C)C(C)(CC)CC)C(C)(CC)CC.
What is the InChIKey of 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine?
The InChIKey is ACQBYQGBPMALOU-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H29N/c1-8-14(6,9-2)12(5)13(16)15(7,10-3)11-4/h16H,5,8-11H2,1-4,6-7H3/b16-13+.
What are the key properties of 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine?
3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine has a molecular weight of 223.40 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3,6-dimethyl-5-methylideneoctan-4-imine is sourced from PubChem (CID 123178237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).