1-(2-methoxyethoxy)-5-methylideneheptan-3-amine

C11H23NO2 — CID 102927882

IUPAC1-(2-methoxyethoxy)-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(N)CCOCCOC
InChIInChI=1S/C11H23NO2/c1-4-10(2)9-11(12)5-6-14-8-7-13-3/h11H,2,4-9,12H2,1,3H3
InChIKeyRKGABQIUBVBMKX-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.72
Rot. Bonds9

About 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine

1-(2-methoxyethoxy)-5-methylideneheptan-3-amine (PubChem CID 102927882) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-5-methylideneheptan-3-amine
PubChem CID102927882
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(2-methoxyethoxy)-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(N)CCOCCOC
InChIInChI=1S/C11H23NO2/c1-4-10(2)9-11(12)5-6-14-8-7-13-3/h11H,2,4-9,12H2,1,3H3
InChIKeyRKGABQIUBVBMKX-UHFFFAOYSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148073
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148112
1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-amine
CID 103148956
1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-amine
CID 103149006
9-Methoxy-3,4,5-trimethylidenenonane-1,7-diamine
CID 176088919
1-Methoxy-6-methylideneoctan-4-amine
CID 66038527
1-(1,4-Dioxan-2-yl)-3-methylidenepentan-1-amine
CID 66038530
1-Methoxy-5-methylideneheptan-3-amine
CID 66038745
1-methoxy-N-methyl-5-methylideneheptan-3-amine
CID 66038979
4-Methylidene-1-(oxolan-2-yl)hexan-2-amine
CID 66044104
1-Methoxy-5-methylhex-5-en-3-amine
CID 79179783
4-Methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 79179974

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine (CID 102927882) is 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine is C=C(CC)CC(N)CCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine?
The InChIKey is RKGABQIUBVBMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-10(2)9-11(12)5-6-14-8-7-13-3/h11H,2,4-9,12H2,1,3H3.
What are the key properties of 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine?
1-(2-methoxyethoxy)-5-methylideneheptan-3-amine has a molecular weight of 201.31 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-5-methylideneheptan-3-amine is sourced from PubChem (CID 102927882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).