N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine

C11H21NO — CID 90830989

IUPACN-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine
SMILESC/C(=N\C(C)C(C)C)C1CCCO1
InChIInChI=1S/C11H21NO/c1-8(2)9(3)12-10(4)11-6-5-7-13-11/h8-9,11H,5-7H2,1-4H3/b12-10+
InChIKeyNXEXQBQSJWZLTL-ZRDIBKRKSA-N
MW183.29 g/mol
LogP2.67
Rot. Bonds3

About N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine

N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine (PubChem CID 90830989) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine
PubChem CID90830989
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine
SMILESC/C(=N\C(C)C(C)C)C1CCCO1
InChIInChI=1S/C11H21NO/c1-8(2)9(3)12-10(4)11-6-5-7-13-11/h8-9,11H,5-7H2,1-4H3/b12-10+
InChIKeyNXEXQBQSJWZLTL-ZRDIBKRKSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine?
The IUPAC name of N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine (CID 90830989) is N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine is C/C(=N\C(C)C(C)C)C1CCCO1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine?
The InChIKey is NXEXQBQSJWZLTL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)9(3)12-10(4)11-6-5-7-13-11/h8-9,11H,5-7H2,1-4H3/b12-10+.
What are the key properties of N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine?
N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine has a molecular weight of 183.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-(oxolan-2-yl)ethanimine is sourced from PubChem (CID 90830989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).