2,3,6-trimethyloctan-4-imine

C11H23N — CID 123559173

IUPAC2,3,6-trimethyloctan-4-imine
SMILES[H]/N=C(\CC(C)CC)C(C)C(C)C
InChIInChI=1S/C11H23N/c1-6-9(4)7-11(12)10(5)8(2)3/h8-10,12H,6-7H2,1-5H3/b12-11+
InChIKeyFPNRAOIUNPAQID-VAWYXSNFSA-N
MW169.31 g/mol
LogP3.73
Rot. Bonds5

About 2,3,6-trimethyloctan-4-imine

2,3,6-trimethyloctan-4-imine (PubChem CID 123559173) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,3,6-trimethyloctan-4-imine.

Molecular Properties

Compound Name2,3,6-trimethyloctan-4-imine
PubChem CID123559173
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,3,6-trimethyloctan-4-imine
SMILES[H]/N=C(\CC(C)CC)C(C)C(C)C
InChIInChI=1S/C11H23N/c1-6-9(4)7-11(12)10(5)8(2)3/h8-10,12H,6-7H2,1-5H3/b12-11+
InChIKeyFPNRAOIUNPAQID-VAWYXSNFSA-N
XLogP3.73
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.73
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

4,5-dimethylhexan-3-imine
CID 123589551
8-ethyl-3,6,7,7-tetramethyldecan-5-imine
CID 123615582
4,7-dimethylnonan-2-imine
CID 123346808
5-ethyl-7-methylnona-2,4-diene
CID 123846326
tert-butyl 2-imino-4-methylhexanoate
CID 175255771
[(2R)-2-methylbutyl] carbamimidothioate
CID 3084888
2,6-dimethylnonan-3-imine
CID 146181294
4-methylheptan-3-imine
CID 149092868
methyl 4-methylhexanimidate
CID 57248628
(5R)-5-methylheptan-3-one
CID 6566014
3-methylpentanethioamide
CID 54078997
2-chloro-4-methylhex-1-ene
CID 15153636

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyloctan-4-imine?
The IUPAC name of 2,3,6-trimethyloctan-4-imine (CID 123559173) is 2,3,6-trimethyloctan-4-imine.
What is the SMILES notation for 2,3,6-trimethyloctan-4-imine?
The canonical SMILES for 2,3,6-trimethyloctan-4-imine is [H]/N=C(\CC(C)CC)C(C)C(C)C.
What is the InChIKey of 2,3,6-trimethyloctan-4-imine?
The InChIKey is FPNRAOIUNPAQID-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9(4)7-11(12)10(5)8(2)3/h8-10,12H,6-7H2,1-5H3/b12-11+.
What are the key properties of 2,3,6-trimethyloctan-4-imine?
2,3,6-trimethyloctan-4-imine has a molecular weight of 169.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyloctan-4-imine is sourced from PubChem (CID 123559173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).