5-methyl-3-pentyloxolan-2-imine

C10H19NO — CID 143320578

IUPAC5-methyl-3-pentyloxolan-2-imine
SMILES[H]/N=C1\OC(C)CC1CCCCC
InChIInChI=1S/C10H19NO/c1-3-4-5-6-9-7-8(2)12-10(9)11/h8-9,11H,3-7H2,1-2H3/b11-10-
InChIKeyCRTVACDLWFISEA-KHPPLWFESA-N
MW169.27 g/mol
LogP2.97
Rot. Bonds4

About 5-methyl-3-pentyloxolan-2-imine

5-methyl-3-pentyloxolan-2-imine (PubChem CID 143320578) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-methyl-3-pentyloxolan-2-imine.

Molecular Properties

Compound Name5-methyl-3-pentyloxolan-2-imine
PubChem CID143320578
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-methyl-3-pentyloxolan-2-imine
SMILES[H]/N=C1\OC(C)CC1CCCCC
InChIInChI=1S/C10H19NO/c1-3-4-5-6-9-7-8(2)12-10(9)11/h8-9,11H,3-7H2,1-2H3/b11-10-
InChIKeyCRTVACDLWFISEA-KHPPLWFESA-N
XLogP2.97
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pentyloxolan-2-imine?
The IUPAC name of 5-methyl-3-pentyloxolan-2-imine (CID 143320578) is 5-methyl-3-pentyloxolan-2-imine.
What is the SMILES notation for 5-methyl-3-pentyloxolan-2-imine?
The canonical SMILES for 5-methyl-3-pentyloxolan-2-imine is [H]/N=C1\OC(C)CC1CCCCC.
What is the InChIKey of 5-methyl-3-pentyloxolan-2-imine?
The InChIKey is CRTVACDLWFISEA-KHPPLWFESA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-6-9-7-8(2)12-10(9)11/h8-9,11H,3-7H2,1-2H3/b11-10-.
What are the key properties of 5-methyl-3-pentyloxolan-2-imine?
5-methyl-3-pentyloxolan-2-imine has a molecular weight of 169.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pentyloxolan-2-imine is sourced from PubChem (CID 143320578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).