2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine

C11H21NO — CID 170682416

IUPAC2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(CN)(CC=C)CCOC
InChIInChI=1S/C11H21NO/c1-4-6-11(10-12,7-5-2)8-9-13-3/h4-5H,1-2,6-10,12H2,3H3
InChIKeyFKHOMUPRIWYGJZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.12
Rot. Bonds8

About 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine

2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine (PubChem CID 170682416) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
PubChem CID170682416
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(CN)(CC=C)CCOC
InChIInChI=1S/C11H21NO/c1-4-6-11(10-12,7-5-2)8-9-13-3/h4-5H,1-2,6-10,12H2,3H3
InChIKeyFKHOMUPRIWYGJZ-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine?
The IUPAC name of 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine (CID 170682416) is 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine?
The canonical SMILES for 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine is C=CCC(CN)(CC=C)CCOC.
What is the InChIKey of 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine?
The InChIKey is FKHOMUPRIWYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-11(10-12,7-5-2)8-9-13-3/h4-5H,1-2,6-10,12H2,3H3.
What are the key properties of 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine?
2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-2-prop-2-enylpent-4-en-1-amine is sourced from PubChem (CID 170682416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).