5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine

C9H19NO2 — CID 102927828

IUPAC5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine
SMILESC=C(C)C(N)CCOCCOC
InChIInChI=1S/C9H19NO2/c1-8(2)9(10)4-5-12-7-6-11-3/h9H,1,4-7,10H2,2-3H3
InChIKeyUPAUKSJYKOTXTH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.94
Rot. Bonds7

About 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine

5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine (PubChem CID 102927828) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine
PubChem CID102927828
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine
SMILESC=C(C)C(N)CCOCCOC
InChIInChI=1S/C9H19NO2/c1-8(2)9(10)4-5-12-7-6-11-3/h9H,1,4-7,10H2,2-3H3
InChIKeyUPAUKSJYKOTXTH-UHFFFAOYSA-N
XLogP0.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.94
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-Methoxy-2-methylpent-1-en-3-amine
CID 79177715
1-(2-Methoxyethoxy)hex-5-en-3-amine
CID 102927773
1-(2-Methoxyethoxy)-5-methylhex-5-en-3-amine
CID 102927795
5-(2-Methoxyethoxy)pent-1-en-3-amine
CID 102927827
1-(2-Methoxyethoxy)-5-methylideneheptan-3-amine
CID 102927882
1-(2-Methoxyethoxy)-5-methylhex-4-en-3-amine
CID 102927899
1-(2-Methoxyethoxy)-6-methylhept-6-en-3-amine
CID 102927910
5-(2-methoxyethoxy)-N,2-dimethylpent-1-en-3-amine
CID 102928089
N-ethyl-5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine
CID 102928353
5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine
CID 102928582
[5-(2-Methoxyethoxy)-2-methylpent-1-en-3-yl]hydrazine
CID 102929854
5-Methyl-1-propoxyhex-5-en-3-amine
CID 105163004

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine?
The IUPAC name of 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine (CID 102927828) is 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine.
What is the SMILES notation for 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine?
The canonical SMILES for 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine is C=C(C)C(N)CCOCCOC.
What is the InChIKey of 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine?
The InChIKey is UPAUKSJYKOTXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)9(10)4-5-12-7-6-11-3/h9H,1,4-7,10H2,2-3H3.
What are the key properties of 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine?
5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine has a molecular weight of 173.26 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-2-methylpent-1-en-3-amine is sourced from PubChem (CID 102927828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).