1-(oxolan-2-yl)-N-propan-2-ylethanimine

C9H17NO — CID 91538832

IUPAC1-(oxolan-2-yl)-N-propan-2-ylethanimine
SMILESC/C(=N\C(C)C)C1CCCO1
InChIInChI=1S/C9H17NO/c1-7(2)10-8(3)9-5-4-6-11-9/h7,9H,4-6H2,1-3H3/b10-8+
InChIKeyDIIMHQOIBMBNEH-CSKARUKUSA-N
MW155.24 g/mol
LogP2.03
Rot. Bonds2

About 1-(oxolan-2-yl)-N-propan-2-ylethanimine

1-(oxolan-2-yl)-N-propan-2-ylethanimine (PubChem CID 91538832) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-propan-2-ylethanimine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-propan-2-ylethanimine
PubChem CID91538832
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(oxolan-2-yl)-N-propan-2-ylethanimine
SMILESC/C(=N\C(C)C)C1CCCO1
InChIInChI=1S/C9H17NO/c1-7(2)10-8(3)9-5-4-6-11-9/h7,9H,4-6H2,1-3H3/b10-8+
InChIKeyDIIMHQOIBMBNEH-CSKARUKUSA-N
XLogP2.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.03
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 1-(oxolan-2-yl)-N-propan-2-ylethanimine?
The IUPAC name of 1-(oxolan-2-yl)-N-propan-2-ylethanimine (CID 91538832) is 1-(oxolan-2-yl)-N-propan-2-ylethanimine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-propan-2-ylethanimine?
The canonical SMILES for 1-(oxolan-2-yl)-N-propan-2-ylethanimine is C/C(=N\C(C)C)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-propan-2-ylethanimine?
The InChIKey is DIIMHQOIBMBNEH-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-8(3)9-5-4-6-11-9/h7,9H,4-6H2,1-3H3/b10-8+.
What are the key properties of 1-(oxolan-2-yl)-N-propan-2-ylethanimine?
1-(oxolan-2-yl)-N-propan-2-ylethanimine has a molecular weight of 155.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-propan-2-ylethanimine is sourced from PubChem (CID 91538832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).