N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine

C14H28N2 — CID 12704925

IUPACN-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine
SMILESCC(C)C(=NN=C(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C14H28N2/c1-9(2)13(10(3)4)15-16-14(11(5)6)12(7)8/h9-12H,1-8H3
InChIKeyLTHOJRVNLMLEFL-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.41
Rot. Bonds5

About N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine

N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine (PubChem CID 12704925) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine
PubChem CID12704925
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine
SMILESCC(C)C(=NN=C(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C14H28N2/c1-9(2)13(10(3)4)15-16-14(11(5)6)12(7)8/h9-12H,1-8H3
InChIKeyLTHOJRVNLMLEFL-UHFFFAOYSA-N
XLogP4.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine?
The IUPAC name of N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine (CID 12704925) is N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine.
What is the SMILES notation for N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine?
The canonical SMILES for N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine is CC(C)C(=NN=C(C(C)C)C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine?
The InChIKey is LTHOJRVNLMLEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-9(2)13(10(3)4)15-16-14(11(5)6)12(7)8/h9-12H,1-8H3.
What are the key properties of N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine?
N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine has a molecular weight of 224.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-ylideneamino)-2,4-dimethylpentan-3-imine is sourced from PubChem (CID 12704925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).