1-(2-methoxyethoxy)-7-methyloctan-3-amine

C12H27NO2 — CID 102927957

IUPAC1-(2-methoxyethoxy)-7-methyloctan-3-amine
SMILESCOCCOCCC(N)CCCC(C)C
InChIInChI=1S/C12H27NO2/c1-11(2)5-4-6-12(13)7-8-15-10-9-14-3/h11-12H,4-10,13H2,1-3H3
InChIKeyXCMKICFYUUYIJL-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.19
Rot. Bonds10

About 1-(2-methoxyethoxy)-7-methyloctan-3-amine

1-(2-methoxyethoxy)-7-methyloctan-3-amine (PubChem CID 102927957) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-7-methyloctan-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-7-methyloctan-3-amine
PubChem CID102927957
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-(2-methoxyethoxy)-7-methyloctan-3-amine
SMILESCOCCOCCC(N)CCCC(C)C
InChIInChI=1S/C12H27NO2/c1-11(2)5-4-6-12(13)7-8-15-10-9-14-3/h11-12H,4-10,13H2,1-3H3
InChIKeyXCMKICFYUUYIJL-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.19
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

1-Propanamine, 3-(isodecyloxy)-
CID 120013
1-Propanamine, 3-(isononyloxy)-
CID 121810
2-(2-Methylpropyl)oxan-4-amine
CID 64104920
7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
CID 103148163
1-(2,2-Difluoroethoxy)-7-methyloctan-3-amine
CID 103149063
(3R,4R)-2-ethyl-3-methoxy-5-methyloxan-4-amine
CID 60047905
3-Pentyloxan-4-amine
CID 69487163
(4R,6R)-2-methyl-6-propan-2-yloxan-4-amine
CID 89411185
(4S,6R)-2-methyl-6-propan-2-yloxan-4-amine
CID 89411186
(4S,6S)-2-methyl-6-propan-2-yloxan-4-amine
CID 89411188
(4R,6S)-2-methyl-6-propan-2-yloxan-4-amine
CID 89411190
3-(2-Methylnonoxy)propan-1-amine
CID 90169861

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-7-methyloctan-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-7-methyloctan-3-amine (CID 102927957) is 1-(2-methoxyethoxy)-7-methyloctan-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-7-methyloctan-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-7-methyloctan-3-amine is COCCOCCC(N)CCCC(C)C.
What is the InChIKey of 1-(2-methoxyethoxy)-7-methyloctan-3-amine?
The InChIKey is XCMKICFYUUYIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-11(2)5-4-6-12(13)7-8-15-10-9-14-3/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-7-methyloctan-3-amine?
1-(2-methoxyethoxy)-7-methyloctan-3-amine has a molecular weight of 217.35 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-7-methyloctan-3-amine is sourced from PubChem (CID 102927957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).