N-butan-2-yl-1-(oxolan-2-yl)ethanimine

C10H19NO — CID 91358096

IUPACN-butan-2-yl-1-(oxolan-2-yl)ethanimine
SMILESCCC(C)/N=C(\C)C1CCCO1
InChIInChI=1S/C10H19NO/c1-4-8(2)11-9(3)10-6-5-7-12-10/h8,10H,4-7H2,1-3H3/b11-9+
InChIKeyOCIZGVUAUQAWKB-PKNBQFBNSA-N
MW169.27 g/mol
LogP2.42
Rot. Bonds3

About N-butan-2-yl-1-(oxolan-2-yl)ethanimine

N-butan-2-yl-1-(oxolan-2-yl)ethanimine (PubChem CID 91358096) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-butan-2-yl-1-(oxolan-2-yl)ethanimine.

Molecular Properties

Compound NameN-butan-2-yl-1-(oxolan-2-yl)ethanimine
PubChem CID91358096
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-butan-2-yl-1-(oxolan-2-yl)ethanimine
SMILESCCC(C)/N=C(\C)C1CCCO1
InChIInChI=1S/C10H19NO/c1-4-8(2)11-9(3)10-6-5-7-12-10/h8,10H,4-7H2,1-3H3/b11-9+
InChIKeyOCIZGVUAUQAWKB-PKNBQFBNSA-N
XLogP2.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.42
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-butan-2-yl-1-(oxolan-2-yl)ethanimine?
The IUPAC name of N-butan-2-yl-1-(oxolan-2-yl)ethanimine (CID 91358096) is N-butan-2-yl-1-(oxolan-2-yl)ethanimine.
What is the SMILES notation for N-butan-2-yl-1-(oxolan-2-yl)ethanimine?
The canonical SMILES for N-butan-2-yl-1-(oxolan-2-yl)ethanimine is CCC(C)/N=C(\C)C1CCCO1.
What is the InChIKey of N-butan-2-yl-1-(oxolan-2-yl)ethanimine?
The InChIKey is OCIZGVUAUQAWKB-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(2)11-9(3)10-6-5-7-12-10/h8,10H,4-7H2,1-3H3/b11-9+.
What are the key properties of N-butan-2-yl-1-(oxolan-2-yl)ethanimine?
N-butan-2-yl-1-(oxolan-2-yl)ethanimine has a molecular weight of 169.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(oxolan-2-yl)ethanimine is sourced from PubChem (CID 91358096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).