1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine

C14H25NO2 — CID 114190361

IUPAC1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine
SMILESCOC1(C(N)CC#CC(C)(C)C)CCOCC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)7-5-6-12(15)14(16-4)8-10-17-11-9-14/h12H,6,8-11,15H2,1-4H3
InChIKeyFNGUECKUIHWYPB-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.95
Rot. Bonds3

About 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine

1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine (PubChem CID 114190361) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine
PubChem CID114190361
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine
SMILESCOC1(C(N)CC#CC(C)(C)C)CCOCC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)7-5-6-12(15)14(16-4)8-10-17-11-9-14/h12H,6,8-11,15H2,1-4H3
InChIKeyFNGUECKUIHWYPB-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine
CID 116765527
5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
CID 116764437
1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine
CID 116764422
1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 116764425
2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764399
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764497
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103036117
1-(4-methoxyoxan-4-yl)ethanol
CID 116753835
cyclopentyl-(4-methoxyoxan-4-yl)methanamine
CID 116764544
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine (CID 114190361) is 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine is COC1(C(N)CC#CC(C)(C)C)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine?
The InChIKey is FNGUECKUIHWYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)7-5-6-12(15)14(16-4)8-10-17-11-9-14/h12H,6,8-11,15H2,1-4H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine?
1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine is sourced from PubChem (CID 114190361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).