(3-hexoxyoxan-3-yl)methanamine

C12H25NO2 — CID 65051462

IUPAC(3-hexoxyoxan-3-yl)methanamine
SMILESCCCCCCOC1(CN)CCCOC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-9-15-12(10-13)7-6-8-14-11-12/h2-11,13H2,1H3
InChIKeyYPNMZNBMEMTZNA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds7

About (3-hexoxyoxan-3-yl)methanamine

(3-hexoxyoxan-3-yl)methanamine (PubChem CID 65051462) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3-hexoxyoxan-3-yl)methanamine.

Molecular Properties

Compound Name(3-hexoxyoxan-3-yl)methanamine
PubChem CID65051462
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3-hexoxyoxan-3-yl)methanamine
SMILESCCCCCCOC1(CN)CCCOC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-9-15-12(10-13)7-6-8-14-11-12/h2-11,13H2,1H3
InChIKeyYPNMZNBMEMTZNA-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-methoxybutoxy)oxan-3-yl]methanamine
CID 104646740
3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 114524598
4-hexoxy-4-(iodomethyl)oxane
CID 114773517
[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051716
2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
CID 65051564
2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
CID 124681348
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
(4-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
(4-propoxyoxan-4-yl)methanamine
CID 65051760
4-(bromomethyl)-4-pentoxyoxane
CID 114773694
[3-[(4-ethylmorpholin-2-yl)methoxy]oxan-3-yl]methanamine
CID 79165722
2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide
CID 65051453

Frequently Asked Questions

What is the IUPAC name of (3-hexoxyoxan-3-yl)methanamine?
The IUPAC name of (3-hexoxyoxan-3-yl)methanamine (CID 65051462) is (3-hexoxyoxan-3-yl)methanamine.
What is the SMILES notation for (3-hexoxyoxan-3-yl)methanamine?
The canonical SMILES for (3-hexoxyoxan-3-yl)methanamine is CCCCCCOC1(CN)CCCOC1.
What is the InChIKey of (3-hexoxyoxan-3-yl)methanamine?
The InChIKey is YPNMZNBMEMTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-4-5-9-15-12(10-13)7-6-8-14-11-12/h2-11,13H2,1H3.
What are the key properties of (3-hexoxyoxan-3-yl)methanamine?
(3-hexoxyoxan-3-yl)methanamine has a molecular weight of 215.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexoxyoxan-3-yl)methanamine is sourced from PubChem (CID 65051462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).