N,2,2,5,5-pentamethylhexan-3-imine

C11H23N — CID 122659028

IUPACN,2,2,5,5-pentamethylhexan-3-imine
SMILESC/N=C(\CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)8-9(12-7)11(4,5)6/h8H2,1-7H3/b12-9+
InChIKeyZCYQMRFESJYYTE-FMIVXFBMSA-N
MW169.31 g/mol
LogP3.54
Rot. Bonds1

About N,2,2,5,5-pentamethylhexan-3-imine

N,2,2,5,5-pentamethylhexan-3-imine (PubChem CID 122659028) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N,2,2,5,5-pentamethylhexan-3-imine.

Molecular Properties

Compound NameN,2,2,5,5-pentamethylhexan-3-imine
PubChem CID122659028
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN,2,2,5,5-pentamethylhexan-3-imine
SMILESC/N=C(\CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)8-9(12-7)11(4,5)6/h8H2,1-7H3/b12-9+
InChIKeyZCYQMRFESJYYTE-FMIVXFBMSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
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 N,2,2,5,5-pentamethylhexan-3-imine?
The IUPAC name of N,2,2,5,5-pentamethylhexan-3-imine (CID 122659028) is N,2,2,5,5-pentamethylhexan-3-imine.
What is the SMILES notation for N,2,2,5,5-pentamethylhexan-3-imine?
The canonical SMILES for N,2,2,5,5-pentamethylhexan-3-imine is C/N=C(\CC(C)(C)C)C(C)(C)C.
What is the InChIKey of N,2,2,5,5-pentamethylhexan-3-imine?
The InChIKey is ZCYQMRFESJYYTE-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2,3)8-9(12-7)11(4,5)6/h8H2,1-7H3/b12-9+.
What are the key properties of N,2,2,5,5-pentamethylhexan-3-imine?
N,2,2,5,5-pentamethylhexan-3-imine has a molecular weight of 169.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,5-pentamethylhexan-3-imine is sourced from PubChem (CID 122659028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).