N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine

C13H23NO2 — CID 62803473

IUPACN-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)C1COCCO1
InChIInChI=1S/C13H23NO2/c1-2-7-14-13(11-5-3-4-6-11)12-10-15-8-9-16-12/h5,12-14H,2-4,6-10H2,1H3
InChIKeyMYPDFDWWGXRFLD-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.88
Rot. Bonds5

About N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine

N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine (PubChem CID 62803473) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
PubChem CID62803473
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)C1COCCO1
InChIInChI=1S/C13H23NO2/c1-2-7-14-13(11-5-3-4-6-11)12-10-15-8-9-16-12/h5,12-14H,2-4,6-10H2,1H3
InChIKeyMYPDFDWWGXRFLD-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.88
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-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine (CID 62803473) is N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCC1)C1COCCO1.
What is the InChIKey of N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine?
The InChIKey is MYPDFDWWGXRFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-7-14-13(11-5-3-4-6-11)12-10-15-8-9-16-12/h5,12-14H,2-4,6-10H2,1H3.
What are the key properties of N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine?
N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62803473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).