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

C9H19NO2 — CID 102928088

IUPAC5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine
SMILESC=CC(CCOCCOC)NC
InChIInChI=1S/C9H19NO2/c1-4-9(10-2)5-6-12-8-7-11-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyYXAPSUWFHLYPHO-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.81
Rot. Bonds8

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

5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine (PubChem CID 102928088) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine
PubChem CID102928088
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine
SMILESC=CC(CCOCCOC)NC
InChIInChI=1S/C9H19NO2/c1-4-9(10-2)5-6-12-8-7-11-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyYXAPSUWFHLYPHO-UHFFFAOYSA-N
XLogP0.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.81
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-(3-methoxypropyl)but-3-en-2-amine
CID 87585790
N-(3-methoxypropyl)pent-4-en-2-amine
CID 116040098
(2S)-N-(3-methoxypropyl)pent-4-en-2-amine
CID 130367535
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,5-dihydro-1H-pyrrole
CID 175386646
1-methoxy-N-methylhex-5-en-3-amine
CID 61412350
3-pent-4-enoxy-N-propan-2-ylpropan-1-amine
CID 64313588
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
N-but-3-enyl-4-methoxybutan-2-amine
CID 64603428
5-methoxy-N-methylpent-1-en-3-amine
CID 65575979
N-ethyl-5-methoxypent-1-en-3-amine
CID 65575981
5-methoxy-N-propylpent-1-en-3-amine
CID 65576177
N-ethyl-3-pent-4-enoxypropan-1-amine
CID 79113802

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine?
The IUPAC name of 5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine (CID 102928088) is 5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine.
What is the SMILES notation for 5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine?
The canonical SMILES for 5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine is C=CC(CCOCCOC)NC.
What is the InChIKey of 5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine?
The InChIKey is YXAPSUWFHLYPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-9(10-2)5-6-12-8-7-11-3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine?
5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine has a molecular weight of 173.26 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-N-methylpent-1-en-3-amine is sourced from PubChem (CID 102928088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).