N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine

C12H25NO2 — CID 102928326

IUPACN-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
SMILESC=C(C)CC(CCOCCOC)NCC
InChIInChI=1S/C12H25NO2/c1-5-13-12(10-11(2)3)6-7-15-9-8-14-4/h12-13H,2,5-10H2,1,3-4H3
InChIKeyAJLDIZXRCCPHCC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds10

About N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine

N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine (PubChem CID 102928326) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
PubChem CID102928326
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
SMILESC=C(C)CC(CCOCCOC)NCC
InChIInChI=1S/C12H25NO2/c1-5-13-12(10-11(2)3)6-7-15-9-8-14-4/h12-13H,2,5-10H2,1,3-4H3
InChIKeyAJLDIZXRCCPHCC-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
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

1-(2-methoxyethoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 102928563
N-ethyl-1-methoxy-6-methylhept-6-en-3-amine
CID 114474356
N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine
CID 102928377
1-ethoxy-N-ethyl-5-methylideneheptan-3-amine
CID 105164131
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
N,5-diethyl-1-(2-methoxyethoxy)nonan-3-amine
CID 102928484
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748
2-(ethylamino)-4-(2-methoxyethoxy)butanamide
CID 63041176
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567739
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
N-ethyl-5-methyl-1-phenylhex-5-en-3-amine
CID 79179781
1-(2-methoxyethoxy)hexan-3-ylhydrazine
CID 102929882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine?
The IUPAC name of N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine (CID 102928326) is N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine?
The canonical SMILES for N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine is C=C(C)CC(CCOCCOC)NCC.
What is the InChIKey of N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine?
The InChIKey is AJLDIZXRCCPHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-13-12(10-11(2)3)6-7-15-9-8-14-4/h12-13H,2,5-10H2,1,3-4H3.
What are the key properties of N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine?
N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine is sourced from PubChem (CID 102928326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).