2,2,5-trimethylhexan-3-imine

C9H19N — CID 90951458

IUPAC2,2,5-trimethylhexan-3-imine
SMILES[H]/N=C(\CC(C)C)C(C)(C)C
InChIInChI=1S/C9H19N/c1-7(2)6-8(10)9(3,4)5/h7,10H,6H2,1-5H3/b10-8+
InChIKeyBRPOOQODCGAKGP-CSKARUKUSA-N
MW141.26 g/mol
LogP3.10
Rot. Bonds2

About 2,2,5-trimethylhexan-3-imine

2,2,5-trimethylhexan-3-imine (PubChem CID 90951458) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2,2,5-trimethylhexan-3-imine.

Molecular Properties

Compound Name2,2,5-trimethylhexan-3-imine
PubChem CID90951458
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2,2,5-trimethylhexan-3-imine
SMILES[H]/N=C(\CC(C)C)C(C)(C)C
InChIInChI=1S/C9H19N/c1-7(2)6-8(10)9(3,4)5/h7,10H,6H2,1-5H3/b10-8+
InChIKeyBRPOOQODCGAKGP-CSKARUKUSA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4-Tetramethyl-3-pentanone Imine
CID 2755632
Di-t-butylethanediimine
CID 21281613
2,6-Dimethylheptan-4-imine
CID 333868
1-Isopropyl-2,2-dimethylpropylideneamine
CID 550754
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
2,2,4,4-Tetramethylpentan-3-ylideneazanium
CID 7019373
3,3-Dimethylhexan-2-imine
CID 12754201
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-methylpentan-2-imine
CID 12754203
3-Ethyl-3-propylhexan-2-imine
CID 12754207
2,2-Dimethylheptan-3-imine
CID 15179554
2,2-Dimethylhexan-3-imine
CID 20702621

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethylhexan-3-imine?
The IUPAC name of 2,2,5-trimethylhexan-3-imine (CID 90951458) is 2,2,5-trimethylhexan-3-imine.
What is the SMILES notation for 2,2,5-trimethylhexan-3-imine?
The canonical SMILES for 2,2,5-trimethylhexan-3-imine is [H]/N=C(\CC(C)C)C(C)(C)C.
What is the InChIKey of 2,2,5-trimethylhexan-3-imine?
The InChIKey is BRPOOQODCGAKGP-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)6-8(10)9(3,4)5/h7,10H,6H2,1-5H3/b10-8+.
What are the key properties of 2,2,5-trimethylhexan-3-imine?
2,2,5-trimethylhexan-3-imine has a molecular weight of 141.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylhexan-3-imine is sourced from PubChem (CID 90951458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).