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

C9H19N — CID 14968871

IUPACN-(2,4,4-trimethylpentan-2-yl)methanimine
SMILESC=NC(C)(C)CC(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2,3)7-9(4,5)10-6/h6-7H2,1-5H3
InChIKeyGLZUHYKKADBWTH-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.90
Rot. Bonds2

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

N-(2,4,4-trimethylpentan-2-yl)methanimine (PubChem CID 14968871) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)methanimine
PubChem CID14968871
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)methanimine
SMILESC=NC(C)(C)CC(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2,3)7-9(4,5)10-6/h6-7H2,1-5H3
InChIKeyGLZUHYKKADBWTH-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.90
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)methanimine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)methanimine (CID 14968871) is N-(2,4,4-trimethylpentan-2-yl)methanimine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)methanimine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)methanimine is C=NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)methanimine?
The InChIKey is GLZUHYKKADBWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2,3)7-9(4,5)10-6/h6-7H2,1-5H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)methanimine?
N-(2,4,4-trimethylpentan-2-yl)methanimine has a molecular weight of 141.26 g/mol, XLogP of 2.90, 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)methanimine is sourced from PubChem (CID 14968871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).