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

C10H21NO2 — CID 102928036

IUPAC1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine
SMILESC=CCC(CCOCCOC)NC
InChIInChI=1S/C10H21NO2/c1-4-5-10(11-2)6-7-13-9-8-12-3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyJMDBFWMNIIWJLG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.20
Rot. Bonds9

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

1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine (PubChem CID 102928036) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine
PubChem CID102928036
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine
SMILESC=CCC(CCOCCOC)NC
InChIInChI=1S/C10H21NO2/c1-4-5-10(11-2)6-7-13-9-8-12-3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyJMDBFWMNIIWJLG-UHFFFAOYSA-N
XLogP1.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.20
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

N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148240
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148486
N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148669
1-(2,2-difluoroethoxy)-N-methylhex-5-en-3-amine
CID 103149152
1-(2,2-difluoroethoxy)-N-ethylhex-5-en-3-amine
CID 103149488
1-(2,2-difluoroethoxy)-N-propylhex-5-en-3-amine
CID 103149807
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole
CID 175386646
1-methoxy-N-propylhex-5-en-3-amine
CID 61412205
1-methoxy-N-methylhex-5-en-3-amine
CID 61412350
N-ethyl-1-methoxyhex-5-en-3-amine
CID 61412663
1-methoxy-N-methylhept-6-en-3-amine
CID 64297004
3-pent-4-enoxy-N-propan-2-ylpropan-1-amine
CID 64313588

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine (CID 102928036) is 1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine is C=CCC(CCOCCOC)NC.
What is the InChIKey of 1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine?
The InChIKey is JMDBFWMNIIWJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-10(11-2)6-7-13-9-8-12-3/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine?
1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine has a molecular weight of 187.28 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-N-methylhex-5-en-3-amine is sourced from PubChem (CID 102928036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).