N-(2,4,5,6-tetramethylheptan-2-yl)methanimine

C12H25N — CID 123181679

IUPACN-(2,4,5,6-tetramethylheptan-2-yl)methanimine
SMILESC=NC(C)(C)CC(C)C(C)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)11(4)10(3)8-12(5,6)13-7/h9-11H,7-8H2,1-6H3
InChIKeyQHZHXVLIURUQAV-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.78
Rot. Bonds5

About N-(2,4,5,6-tetramethylheptan-2-yl)methanimine

N-(2,4,5,6-tetramethylheptan-2-yl)methanimine (PubChem CID 123181679) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(2,4,5,6-tetramethylheptan-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,4,5,6-tetramethylheptan-2-yl)methanimine
PubChem CID123181679
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(2,4,5,6-tetramethylheptan-2-yl)methanimine
SMILESC=NC(C)(C)CC(C)C(C)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)11(4)10(3)8-12(5,6)13-7/h9-11H,7-8H2,1-6H3
InChIKeyQHZHXVLIURUQAV-UHFFFAOYSA-N
XLogP3.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.78
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-(2,4,5,6-tetramethylheptan-2-yl)methanimine?
The IUPAC name of N-(2,4,5,6-tetramethylheptan-2-yl)methanimine (CID 123181679) is N-(2,4,5,6-tetramethylheptan-2-yl)methanimine.
What is the SMILES notation for N-(2,4,5,6-tetramethylheptan-2-yl)methanimine?
The canonical SMILES for N-(2,4,5,6-tetramethylheptan-2-yl)methanimine is C=NC(C)(C)CC(C)C(C)C(C)C.
What is the InChIKey of N-(2,4,5,6-tetramethylheptan-2-yl)methanimine?
The InChIKey is QHZHXVLIURUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)11(4)10(3)8-12(5,6)13-7/h9-11H,7-8H2,1-6H3.
What are the key properties of N-(2,4,5,6-tetramethylheptan-2-yl)methanimine?
N-(2,4,5,6-tetramethylheptan-2-yl)methanimine has a molecular weight of 183.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5,6-tetramethylheptan-2-yl)methanimine is sourced from PubChem (CID 123181679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).