3-ethyl-3-methylhexan-2-imine

C9H19N — CID 123598053

IUPAC3-ethyl-3-methylhexan-2-imine
SMILES[H]/N=C(\C)C(C)(CC)CCC
InChIInChI=1S/C9H19N/c1-5-7-9(4,6-2)8(3)10/h10H,5-7H2,1-4H3/b10-8+
InChIKeyBENQVZQZHYHOCS-CSKARUKUSA-N
MW141.26 g/mol
LogP3.24
Rot. Bonds4

About 3-ethyl-3-methylhexan-2-imine

3-ethyl-3-methylhexan-2-imine (PubChem CID 123598053) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-ethyl-3-methylhexan-2-imine.

Molecular Properties

Compound Name3-ethyl-3-methylhexan-2-imine
PubChem CID123598053
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-ethyl-3-methylhexan-2-imine
SMILES[H]/N=C(\C)C(C)(CC)CCC
InChIInChI=1S/C9H19N/c1-5-7-9(4,6-2)8(3)10/h10H,5-7H2,1-4H3/b10-8+
InChIKeyBENQVZQZHYHOCS-CSKARUKUSA-N
XLogP3.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.24
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
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
2,2,5,5-Tetramethylcyclopentan-1-imine
CID 12497537
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 3-ethyl-3-methylhexan-2-imine?
The IUPAC name of 3-ethyl-3-methylhexan-2-imine (CID 123598053) is 3-ethyl-3-methylhexan-2-imine.
What is the SMILES notation for 3-ethyl-3-methylhexan-2-imine?
The canonical SMILES for 3-ethyl-3-methylhexan-2-imine is [H]/N=C(\C)C(C)(CC)CCC.
What is the InChIKey of 3-ethyl-3-methylhexan-2-imine?
The InChIKey is BENQVZQZHYHOCS-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7-9(4,6-2)8(3)10/h10H,5-7H2,1-4H3/b10-8+.
What are the key properties of 3-ethyl-3-methylhexan-2-imine?
3-ethyl-3-methylhexan-2-imine has a molecular weight of 141.26 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylhexan-2-imine is sourced from PubChem (CID 123598053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).