N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine

C11H22N2O — CID 103339330

IUPACN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CCCN1
InChIInChI=1S/C11H22N2O/c1-3-7-13(8-9-14-2)10-11-5-4-6-12-11/h3,11-12H,1,4-10H2,2H3
InChIKeyUMFNXSWGEPBJLF-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.87
Rot. Bonds7

About N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine (PubChem CID 103339330) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
PubChem CID103339330
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CCCN1
InChIInChI=1S/C11H22N2O/c1-3-7-13(8-9-14-2)10-11-5-4-6-12-11/h3,11-12H,1,4-10H2,2H3
InChIKeyUMFNXSWGEPBJLF-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine (CID 103339330) is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine is C=CCN(CCOC)CC1CCCN1.
What is the InChIKey of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is UMFNXSWGEPBJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-7-13(8-9-14-2)10-11-5-4-6-12-11/h3,11-12H,1,4-10H2,2H3.
What are the key properties of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine?
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103339330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).