3,3,5,5-tetramethylhexan-2-imine

C10H21N — CID 139333872

IUPAC3,3,5,5-tetramethylhexan-2-imine
SMILES[H]/N=C(\C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C10H21N/c1-8(11)10(5,6)7-9(2,3)4/h11H,7H2,1-6H3/b11-8+
InChIKeyLWODQJMNTRBMAM-DHZHZOJOSA-N
MW155.28 g/mol
LogP3.49
Rot. Bonds2

About 3,3,5,5-tetramethylhexan-2-imine

3,3,5,5-tetramethylhexan-2-imine (PubChem CID 139333872) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3,3,5,5-tetramethylhexan-2-imine.

Molecular Properties

Compound Name3,3,5,5-tetramethylhexan-2-imine
PubChem CID139333872
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3,3,5,5-tetramethylhexan-2-imine
SMILES[H]/N=C(\C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C10H21N/c1-8(11)10(5,6)7-9(2,3)4/h11H,7H2,1-6H3/b11-8+
InChIKeyLWODQJMNTRBMAM-DHZHZOJOSA-N
XLogP3.49
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,5,5-tetramethylhexan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethylhexan-2-imine?
The IUPAC name of 3,3,5,5-tetramethylhexan-2-imine (CID 139333872) is 3,3,5,5-tetramethylhexan-2-imine.
What is the SMILES notation for 3,3,5,5-tetramethylhexan-2-imine?
The canonical SMILES for 3,3,5,5-tetramethylhexan-2-imine is [H]/N=C(\C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 3,3,5,5-tetramethylhexan-2-imine?
The InChIKey is LWODQJMNTRBMAM-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H21N/c1-8(11)10(5,6)7-9(2,3)4/h11H,7H2,1-6H3/b11-8+.
What are the key properties of 3,3,5,5-tetramethylhexan-2-imine?
3,3,5,5-tetramethylhexan-2-imine has a molecular weight of 155.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethylhexan-2-imine is sourced from PubChem (CID 139333872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).