4-ethyl-2,2-dimethylheptan-3-imine

C11H23N — CID 54163298

IUPAC4-ethyl-2,2-dimethylheptan-3-imine
SMILES[H]/N=C(\C(CC)CCC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-6-8-9(7-2)10(12)11(3,4)5/h9,12H,6-8H2,1-5H3/b12-10+
InChIKeyOPXLOULINPAZOP-ZRDIBKRKSA-N
MW169.31 g/mol
LogP3.88
Rot. Bonds4

About 4-ethyl-2,2-dimethylheptan-3-imine

4-ethyl-2,2-dimethylheptan-3-imine (PubChem CID 54163298) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethylheptan-3-imine.

Molecular Properties

Compound Name4-ethyl-2,2-dimethylheptan-3-imine
PubChem CID54163298
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-ethyl-2,2-dimethylheptan-3-imine
SMILES[H]/N=C(\C(CC)CCC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-6-8-9(7-2)10(12)11(3,4)5/h9,12H,6-8H2,1-5H3/b12-10+
InChIKeyOPXLOULINPAZOP-ZRDIBKRKSA-N
XLogP3.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-2,2-dimethylheptan-3-imine with MolForge

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

Launch Full Analysis

Related Compounds

Cycloheptanimine, 2,2,7,7-tetramethyl-
CID 534470
4-Fluoro-5-methylheptan-2-imine
CID 172242737
2,6-Dimethylheptan-4-imine
CID 333868
1-Isopropyl-2,2-dimethylpropylideneamine
CID 550754
2,2,6,6-Tetramethylcyclohexan-1-imine
CID 13096255
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
(3R)-2,2,3-trimethylcyclopentan-1-imine
CID 135012155
3,3-Dimethylhexan-2-imine
CID 12754201
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-propylhexan-2-imine
CID 12754207
2,2-Dimethylheptan-3-imine
CID 15179554
3,3,5-Trimethylcyclohexan-1-imine
CID 19102245

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethylheptan-3-imine?
The IUPAC name of 4-ethyl-2,2-dimethylheptan-3-imine (CID 54163298) is 4-ethyl-2,2-dimethylheptan-3-imine.
What is the SMILES notation for 4-ethyl-2,2-dimethylheptan-3-imine?
The canonical SMILES for 4-ethyl-2,2-dimethylheptan-3-imine is [H]/N=C(\C(CC)CCC)C(C)(C)C.
What is the InChIKey of 4-ethyl-2,2-dimethylheptan-3-imine?
The InChIKey is OPXLOULINPAZOP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23N/c1-6-8-9(7-2)10(12)11(3,4)5/h9,12H,6-8H2,1-5H3/b12-10+.
What are the key properties of 4-ethyl-2,2-dimethylheptan-3-imine?
4-ethyl-2,2-dimethylheptan-3-imine has a molecular weight of 169.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethylheptan-3-imine is sourced from PubChem (CID 54163298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).