7,7-dimethyloctan-2-imine

C10H21N — CID 58252462

IUPAC7,7-dimethyloctan-2-imine
SMILES[H]/N=C(\C)CCCCC(C)(C)C
InChIInChI=1S/C10H21N/c1-9(11)7-5-6-8-10(2,3)4/h11H,5-8H2,1-4H3/b11-9+
InChIKeyXEGQFYTWDCTCJB-PKNBQFBNSA-N
MW155.28 g/mol
LogP3.63
Rot. Bonds4

About 7,7-dimethyloctan-2-imine

7,7-dimethyloctan-2-imine (PubChem CID 58252462) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 7,7-dimethyloctan-2-imine.

Molecular Properties

Compound Name7,7-dimethyloctan-2-imine
PubChem CID58252462
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name7,7-dimethyloctan-2-imine
SMILES[H]/N=C(\C)CCCCC(C)(C)C
InChIInChI=1S/C10H21N/c1-9(11)7-5-6-8-10(2,3)4/h11H,5-8H2,1-4H3/b11-9+
InChIKeyXEGQFYTWDCTCJB-PKNBQFBNSA-N
XLogP3.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cycloheptanimine, 2,2,7,7-tetramethyl-
CID 534470
2,6-Dimethylheptan-4-imine
CID 333868
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
3,3,7,7-Tetramethyl-1,2-cycloheptanediimine
CID 3475486
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
1-(1,3,3,5-Tetramethylcyclohexyl)ethanimine
CID 20692070
2,2-Dimethylhexan-3-imine
CID 20702621
8,8,10,10-Tetrabutylheptadecan-9-imine
CID 21412162
2,2-Dimethylcyclohexan-1-imine
CID 22113511

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyloctan-2-imine?
The IUPAC name of 7,7-dimethyloctan-2-imine (CID 58252462) is 7,7-dimethyloctan-2-imine.
What is the SMILES notation for 7,7-dimethyloctan-2-imine?
The canonical SMILES for 7,7-dimethyloctan-2-imine is [H]/N=C(\C)CCCCC(C)(C)C.
What is the InChIKey of 7,7-dimethyloctan-2-imine?
The InChIKey is XEGQFYTWDCTCJB-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21N/c1-9(11)7-5-6-8-10(2,3)4/h11H,5-8H2,1-4H3/b11-9+.
What are the key properties of 7,7-dimethyloctan-2-imine?
7,7-dimethyloctan-2-imine has a molecular weight of 155.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyloctan-2-imine is sourced from PubChem (CID 58252462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).