N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine

C15H27N3O — CID 103070557

IUPACN-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H27N3O/c1-13(10-16-14-2-3-14)11-17-5-4-15(12-17)18-6-8-19-9-7-18/h14-16H,1-12H2
InChIKeyMDWMMUCKPVHMPL-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.70
Rot. Bonds6

About N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103070557) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103070557
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H27N3O/c1-13(10-16-14-2-3-14)11-17-5-4-15(12-17)18-6-8-19-9-7-18/h14-16H,1-12H2
InChIKeyMDWMMUCKPVHMPL-UHFFFAOYSA-N
XLogP0.70
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.70
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-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine (CID 103070557) is N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CN1CCC(N2CCOCC2)C1.
What is the InChIKey of N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is MDWMMUCKPVHMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(10-16-14-2-3-14)11-17-5-4-15(12-17)18-6-8-19-9-7-18/h14-16H,1-12H2.
What are the key properties of N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 265.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103070557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).