N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine

C14H27N3O — CID 103070553

IUPACN-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNCC)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H27N3O/c1-3-15-10-13(2)11-16-5-4-14(12-16)17-6-8-18-9-7-17/h14-15H,2-12H2,1H3
InChIKeyIXGJQKAWLBAUQE-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.56
Rot. Bonds6

About N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine

N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103070553) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103070553
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNCC)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H27N3O/c1-3-15-10-13(2)11-16-5-4-14(12-16)17-6-8-18-9-7-17/h14-15H,2-12H2,1H3
InChIKeyIXGJQKAWLBAUQE-UHFFFAOYSA-N
XLogP0.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (CID 103070553) is N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is C=C(CNCC)CN1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is IXGJQKAWLBAUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-15-10-13(2)11-16-5-4-14(12-16)17-6-8-18-9-7-17/h14-15H,2-12H2,1H3.
What are the key properties of N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 253.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).