2,2,4,4-tetramethylpentan-3-imine

C9H19N — CID 2755632

IUPAC2,2,4,4-tetramethylpentan-3-imine
SMILES[H]N=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2,3)7(10)9(4,5)6/h10H,1-6H3
InChIKeyVCMKYJMEMATQPE-UHFFFAOYSA-N
MW141.26 g/mol
LogP3.10
Rot. Bonds

About 2,2,4,4-tetramethylpentan-3-imine

2,2,4,4-tetramethylpentan-3-imine (PubChem CID 2755632) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentan-3-imine.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentan-3-imine
PubChem CID2755632
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2,2,4,4-tetramethylpentan-3-imine
SMILES[H]N=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2,3)7(10)9(4,5)6/h10H,1-6H3
InChIKeyVCMKYJMEMATQPE-UHFFFAOYSA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
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 2,2,4,4-tetramethylpentan-3-imine?
The IUPAC name of 2,2,4,4-tetramethylpentan-3-imine (CID 2755632) is 2,2,4,4-tetramethylpentan-3-imine.
What is the SMILES notation for 2,2,4,4-tetramethylpentan-3-imine?
The canonical SMILES for 2,2,4,4-tetramethylpentan-3-imine is [H]N=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethylpentan-3-imine?
The InChIKey is VCMKYJMEMATQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2,3)7(10)9(4,5)6/h10H,1-6H3.
What are the key properties of 2,2,4,4-tetramethylpentan-3-imine?
2,2,4,4-tetramethylpentan-3-imine has a molecular weight of 141.26 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentan-3-imine is sourced from PubChem (CID 2755632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).