N,5-dimethyl-3-octyloxolan-2-imine

C14H27NO — CID 155084362

IUPACN,5-dimethyl-3-octyloxolan-2-imine
SMILESCCCCCCCCC1CC(C)O/C1=N\C
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-13-11-12(2)16-14(13)15-3/h12-13H,4-11H2,1-3H3/b15-14-
InChIKeyXTVPIWCBQDULDM-PFONDFGASA-N
MW225.38 g/mol
LogP4.19
Rot. Bonds7

About N,5-dimethyl-3-octyloxolan-2-imine

N,5-dimethyl-3-octyloxolan-2-imine (PubChem CID 155084362) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N,5-dimethyl-3-octyloxolan-2-imine.

Molecular Properties

Compound NameN,5-dimethyl-3-octyloxolan-2-imine
PubChem CID155084362
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN,5-dimethyl-3-octyloxolan-2-imine
SMILESCCCCCCCCC1CC(C)O/C1=N\C
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-13-11-12(2)16-14(13)15-3/h12-13H,4-11H2,1-3H3/b15-14-
InChIKeyXTVPIWCBQDULDM-PFONDFGASA-N
XLogP4.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
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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Related Compounds

5-methyl-3-nonyloxolan-2-one
CID 143081065
(3R)-5-methyl-3-pentyloxolan-2-one
CID 89288605
3-butyl-5-methyloxolan-2-one;ethane
CID 143288540
1-heptyl-2-methylidenecyclopropane
CID 173435427
1-hexyl-4-methyl-2-methylidenecyclopentane
CID 143150354
2-heptyl-4-methyloxetane
CID 174470649
5-hydroxy-3-undecyloxolan-2-one
CID 10199009
2-pentadecylcyclopropan-1-one
CID 70874004
(3R)-3-hexyloxolane-2,5-dione
CID 3084893
3-dotriacontyloxolane-2,5-dione
CID 14694279
3-tetratetracontyloxolane-2,5-dione
CID 14694291
1-ethylidene-2-nonylcyclopropane
CID 123774367

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-octyloxolan-2-imine?
The IUPAC name of N,5-dimethyl-3-octyloxolan-2-imine (CID 155084362) is N,5-dimethyl-3-octyloxolan-2-imine.
What is the SMILES notation for N,5-dimethyl-3-octyloxolan-2-imine?
The canonical SMILES for N,5-dimethyl-3-octyloxolan-2-imine is CCCCCCCCC1CC(C)O/C1=N\C.
What is the InChIKey of N,5-dimethyl-3-octyloxolan-2-imine?
The InChIKey is XTVPIWCBQDULDM-PFONDFGASA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-13-11-12(2)16-14(13)15-3/h12-13H,4-11H2,1-3H3/b15-14-.
What are the key properties of N,5-dimethyl-3-octyloxolan-2-imine?
N,5-dimethyl-3-octyloxolan-2-imine has a molecular weight of 225.38 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-octyloxolan-2-imine is sourced from PubChem (CID 155084362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).