4,5,6-trimethyloctan-2-imine

C11H23N — CID 123170973

IUPAC4,5,6-trimethyloctan-2-imine
SMILES[H]/N=C(\C)CC(C)C(C)C(C)CC
InChIInChI=1S/C11H23N/c1-6-8(2)11(5)9(3)7-10(4)12/h8-9,11-12H,6-7H2,1-5H3/b12-10+
InChIKeyCYPRZRRIUQYUFD-ZRDIBKRKSA-N
MW169.31 g/mol
LogP3.73
Rot. Bonds5

About 4,5,6-trimethyloctan-2-imine

4,5,6-trimethyloctan-2-imine (PubChem CID 123170973) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4,5,6-trimethyloctan-2-imine.

Molecular Properties

Compound Name4,5,6-trimethyloctan-2-imine
PubChem CID123170973
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4,5,6-trimethyloctan-2-imine
SMILES[H]/N=C(\C)CC(C)C(C)C(C)CC
InChIInChI=1S/C11H23N/c1-6-8(2)11(5)9(3)7-10(4)12/h8-9,11-12H,6-7H2,1-5H3/b12-10+
InChIKeyCYPRZRRIUQYUFD-ZRDIBKRKSA-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

4,7-dimethylnonan-2-imine
CID 123346808
4-imino-N,N-dimethylpentan-2-amine
CID 163674101
4-methylheptan-2-imine
CID 90831955
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
4-methylhept-6-en-2-imine
CID 123395995
2,4,7,8,9-pentamethylundec-1-ene
CID 90965506
6-methyl-5-methylideneoctan-2-imine
CID 123962275
(4S)-2,3,4-trimethylhexane
CID 58359072
3,4,5-trimethylheptan-2-one
CID 71402381
1-(2-aminoethoxy)-3-iminobutan-1-amine
CID 57183947
5,9-dimethylundecan-2-imine
CID 163570105
2,4,6,7-tetramethylnonan-5-ol
CID 156689826

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyloctan-2-imine?
The IUPAC name of 4,5,6-trimethyloctan-2-imine (CID 123170973) is 4,5,6-trimethyloctan-2-imine.
What is the SMILES notation for 4,5,6-trimethyloctan-2-imine?
The canonical SMILES for 4,5,6-trimethyloctan-2-imine is [H]/N=C(\C)CC(C)C(C)C(C)CC.
What is the InChIKey of 4,5,6-trimethyloctan-2-imine?
The InChIKey is CYPRZRRIUQYUFD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23N/c1-6-8(2)11(5)9(3)7-10(4)12/h8-9,11-12H,6-7H2,1-5H3/b12-10+.
What are the key properties of 4,5,6-trimethyloctan-2-imine?
4,5,6-trimethyloctan-2-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 4,5,6-trimethyloctan-2-imine is sourced from PubChem (CID 123170973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).