N-(2,4,4-trimethylpentan-2-yl)ethanimine

C10H21N — CID 13220560

IUPACN-(2,4,4-trimethylpentan-2-yl)ethanimine
SMILESC/C=N/C(C)(C)CC(C)(C)C
InChIInChI=1S/C10H21N/c1-7-11-10(5,6)8-9(2,3)4/h7H,8H2,1-6H3/b11-7+
InChIKeyKKRYUIRXWMTTMS-YRNVUSSQSA-N
MW155.28 g/mol
LogP3.29
Rot. Bonds2

About N-(2,4,4-trimethylpentan-2-yl)ethanimine

N-(2,4,4-trimethylpentan-2-yl)ethanimine (PubChem CID 13220560) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)ethanimine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)ethanimine
PubChem CID13220560
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)ethanimine
SMILESC/C=N/C(C)(C)CC(C)(C)C
InChIInChI=1S/C10H21N/c1-7-11-10(5,6)8-9(2,3)4/h7H,8H2,1-6H3/b11-7+
InChIKeyKKRYUIRXWMTTMS-YRNVUSSQSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)ethanimine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)ethanimine (CID 13220560) is N-(2,4,4-trimethylpentan-2-yl)ethanimine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)ethanimine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)ethanimine is C/C=N/C(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)ethanimine?
The InChIKey is KKRYUIRXWMTTMS-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H21N/c1-7-11-10(5,6)8-9(2,3)4/h7H,8H2,1-6H3/b11-7+.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)ethanimine?
N-(2,4,4-trimethylpentan-2-yl)ethanimine has a molecular weight of 155.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)ethanimine is sourced from PubChem (CID 13220560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).