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

C15H29N3O — CID 103070556

IUPAC2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-5-16-11-14(2)12-17-6-4-15(13-17)18-7-9-19-10-8-18/h15-16H,2-13H2,1H3
InChIKeyXNHUMSFGEPEGMH-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.95
Rot. Bonds7

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

2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine (PubChem CID 103070556) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine
PubChem CID103070556
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-5-16-11-14(2)12-17-6-4-15(13-17)18-7-9-19-10-8-18/h15-16H,2-13H2,1H3
InChIKeyXNHUMSFGEPEGMH-UHFFFAOYSA-N
XLogP0.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine (CID 103070556) is 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
The InChIKey is XNHUMSFGEPEGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-5-16-11-14(2)12-17-6-4-15(13-17)18-7-9-19-10-8-18/h15-16H,2-13H2,1H3.
What are the key properties of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine has a molecular weight of 267.42 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103070556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).