3-ethyl-3-propylhexan-2-imine

C11H23N — CID 12754207

IUPAC3-ethyl-3-propylhexan-2-imine
SMILES[H]/N=C(\C)C(CC)(CCC)CCC
InChIInChI=1S/C11H23N/c1-5-8-11(7-3,9-6-2)10(4)12/h12H,5-9H2,1-4H3/b12-10+
InChIKeyGSQLXVUDDAGAPS-ZRDIBKRKSA-N
MW169.31 g/mol
LogP4.02
Rot. Bonds6

About 3-ethyl-3-propylhexan-2-imine

3-ethyl-3-propylhexan-2-imine (PubChem CID 12754207) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-ethyl-3-propylhexan-2-imine.

Molecular Properties

Compound Name3-ethyl-3-propylhexan-2-imine
PubChem CID12754207
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-ethyl-3-propylhexan-2-imine
SMILES[H]/N=C(\C)C(CC)(CCC)CCC
InChIInChI=1S/C11H23N/c1-5-8-11(7-3,9-6-2)10(4)12/h12H,5-9H2,1-4H3/b12-10+
InChIKeyGSQLXVUDDAGAPS-ZRDIBKRKSA-N
XLogP4.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-propylhexan-2-imine?
The IUPAC name of 3-ethyl-3-propylhexan-2-imine (CID 12754207) is 3-ethyl-3-propylhexan-2-imine.
What is the SMILES notation for 3-ethyl-3-propylhexan-2-imine?
The canonical SMILES for 3-ethyl-3-propylhexan-2-imine is [H]/N=C(\C)C(CC)(CCC)CCC.
What is the InChIKey of 3-ethyl-3-propylhexan-2-imine?
The InChIKey is GSQLXVUDDAGAPS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23N/c1-5-8-11(7-3,9-6-2)10(4)12/h12H,5-9H2,1-4H3/b12-10+.
What are the key properties of 3-ethyl-3-propylhexan-2-imine?
3-ethyl-3-propylhexan-2-imine has a molecular weight of 169.31 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-propylhexan-2-imine is sourced from PubChem (CID 12754207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).