1-ethoxy-N-ethyl-5-methylideneheptan-3-amine

C12H25NO — CID 105164131

IUPAC1-ethoxy-N-ethyl-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(CCOCC)NCC
InChIInChI=1S/C12H25NO/c1-5-11(4)10-12(13-6-2)8-9-14-7-3/h12-13H,4-10H2,1-3H3
InChIKeyNMGDDIZOFIJXSU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds9

About 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine

1-ethoxy-N-ethyl-5-methylideneheptan-3-amine (PubChem CID 105164131) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-5-methylideneheptan-3-amine
PubChem CID105164131
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-ethoxy-N-ethyl-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(CCOCC)NCC
InChIInChI=1S/C12H25NO/c1-5-11(4)10-12(13-6-2)8-9-14-7-3/h12-13H,4-10H2,1-3H3
InChIKeyNMGDDIZOFIJXSU-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-ethoxy-6-methylidene-N-propyloctan-4-amine
CID 105164104
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
CID 102928326
N-ethyl-5-methylidene-1-phenylheptan-3-amine
CID 66038507
1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66036851
5-methylidene-1-methylsulfanyl-N-propylheptan-3-amine
CID 105163897
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
1-ethoxy-4-methylidenehexan-2-ol
CID 66046480
N-methyl-6-methylideneoctan-4-amine
CID 66044817
N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
CID 66044344
5-ethoxy-N,3-diethylpentan-2-amine
CID 60999530
2-(ethylamino)-4-octoxybutan-1-ol
CID 64811462

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine?
The IUPAC name of 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine (CID 105164131) is 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine is C=C(CC)CC(CCOCC)NCC.
What is the InChIKey of 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine?
The InChIKey is NMGDDIZOFIJXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-11(4)10-12(13-6-2)8-9-14-7-3/h12-13H,4-10H2,1-3H3.
What are the key properties of 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine?
1-ethoxy-N-ethyl-5-methylideneheptan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-5-methylideneheptan-3-amine is sourced from PubChem (CID 105164131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).