N-tert-butylhexan-1-imine oxide

C10H21NO — CID 121452388

IUPACN-tert-butylhexan-1-imine oxide
SMILESCCCCCC=[N+]([O-])C(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-6-7-8-9-11(12)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyMAKURNGVTSURDW-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.95
Rot. Bonds4

About N-tert-butylhexan-1-imine oxide

N-tert-butylhexan-1-imine oxide (PubChem CID 121452388) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-tert-butylhexan-1-imine oxide.

Molecular Properties

Compound NameN-tert-butylhexan-1-imine oxide
PubChem CID121452388
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-tert-butylhexan-1-imine oxide
SMILESCCCCCC=[N+]([O-])C(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-6-7-8-9-11(12)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyMAKURNGVTSURDW-UHFFFAOYSA-N
XLogP2.95
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylhexan-1-imine oxide?
The IUPAC name of N-tert-butylhexan-1-imine oxide (CID 121452388) is N-tert-butylhexan-1-imine oxide.
What is the SMILES notation for N-tert-butylhexan-1-imine oxide?
The canonical SMILES for N-tert-butylhexan-1-imine oxide is CCCCCC=[N+]([O-])C(C)(C)C.
What is the InChIKey of N-tert-butylhexan-1-imine oxide?
The InChIKey is MAKURNGVTSURDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-7-8-9-11(12)10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of N-tert-butylhexan-1-imine oxide?
N-tert-butylhexan-1-imine oxide has a molecular weight of 171.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylhexan-1-imine oxide is sourced from PubChem (CID 121452388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).