N-tert-butyl-2-(oxan-4-yl)ethanimine

C11H21NO — CID 66867748

IUPACN-tert-butyl-2-(oxan-4-yl)ethanimine
SMILESCC(C)(C)/N=C/CC1CCOCC1
InChIInChI=1S/C11H21NO/c1-11(2,3)12-7-4-10-5-8-13-9-6-10/h7,10H,4-6,8-9H2,1-3H3/b12-7+
InChIKeyUAQIYBXZERDEEK-KPKJPENVSA-N
MW183.29 g/mol
LogP2.67
Rot. Bonds2

About N-tert-butyl-2-(oxan-4-yl)ethanimine

N-tert-butyl-2-(oxan-4-yl)ethanimine (PubChem CID 66867748) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-tert-butyl-2-(oxan-4-yl)ethanimine.

Molecular Properties

Compound NameN-tert-butyl-2-(oxan-4-yl)ethanimine
PubChem CID66867748
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-tert-butyl-2-(oxan-4-yl)ethanimine
SMILESCC(C)(C)/N=C/CC1CCOCC1
InChIInChI=1S/C11H21NO/c1-11(2,3)12-7-4-10-5-8-13-9-6-10/h7,10H,4-6,8-9H2,1-3H3/b12-7+
InChIKeyUAQIYBXZERDEEK-KPKJPENVSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butyl-2-(oxan-4-yl)ethanimine?
The IUPAC name of N-tert-butyl-2-(oxan-4-yl)ethanimine (CID 66867748) is N-tert-butyl-2-(oxan-4-yl)ethanimine.
What is the SMILES notation for N-tert-butyl-2-(oxan-4-yl)ethanimine?
The canonical SMILES for N-tert-butyl-2-(oxan-4-yl)ethanimine is CC(C)(C)/N=C/CC1CCOCC1.
What is the InChIKey of N-tert-butyl-2-(oxan-4-yl)ethanimine?
The InChIKey is UAQIYBXZERDEEK-KPKJPENVSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)12-7-4-10-5-8-13-9-6-10/h7,10H,4-6,8-9H2,1-3H3/b12-7+.
What are the key properties of N-tert-butyl-2-(oxan-4-yl)ethanimine?
N-tert-butyl-2-(oxan-4-yl)ethanimine has a molecular weight of 183.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(oxan-4-yl)ethanimine is sourced from PubChem (CID 66867748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).