1-methoxy-7-(oxolan-2-yl)heptan-4-amine

C12H25NO2 — CID 65164869

IUPAC1-methoxy-7-(oxolan-2-yl)heptan-4-amine
SMILESCOCCCC(N)CCCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-14-9-3-6-11(13)5-2-7-12-8-4-10-15-12/h11-12H,2-10,13H2,1H3
InChIKeyFRMPUEISHXJPDA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds8

About 1-methoxy-7-(oxolan-2-yl)heptan-4-amine

1-methoxy-7-(oxolan-2-yl)heptan-4-amine (PubChem CID 65164869) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-methoxy-7-(oxolan-2-yl)heptan-4-amine.

Molecular Properties

Compound Name1-methoxy-7-(oxolan-2-yl)heptan-4-amine
PubChem CID65164869
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-methoxy-7-(oxolan-2-yl)heptan-4-amine
SMILESCOCCCC(N)CCCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-14-9-3-6-11(13)5-2-7-12-8-4-10-15-12/h11-12H,2-10,13H2,1H3
InChIKeyFRMPUEISHXJPDA-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
CID 105156946
5-(oxolan-2-yl)-1-propoxypentan-2-amine
CID 65164244
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
1-methoxy-3-(oxolan-2-yl)propan-2-amine
CID 62604472
5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine
CID 116757408
6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine
CID 105044424
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-(oxolan-2-yl)heptan-4-amine?
The IUPAC name of 1-methoxy-7-(oxolan-2-yl)heptan-4-amine (CID 65164869) is 1-methoxy-7-(oxolan-2-yl)heptan-4-amine.
What is the SMILES notation for 1-methoxy-7-(oxolan-2-yl)heptan-4-amine?
The canonical SMILES for 1-methoxy-7-(oxolan-2-yl)heptan-4-amine is COCCCC(N)CCCC1CCCO1.
What is the InChIKey of 1-methoxy-7-(oxolan-2-yl)heptan-4-amine?
The InChIKey is FRMPUEISHXJPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-14-9-3-6-11(13)5-2-7-12-8-4-10-15-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-methoxy-7-(oxolan-2-yl)heptan-4-amine?
1-methoxy-7-(oxolan-2-yl)heptan-4-amine has a molecular weight of 215.34 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-(oxolan-2-yl)heptan-4-amine is sourced from PubChem (CID 65164869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).