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

C12H21NO2 — CID 62803472

IUPACN-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1COCCO1
InChIInChI=1S/C12H21NO2/c1-2-13-12(10-5-3-4-6-10)11-9-14-7-8-15-11/h5,11-13H,2-4,6-9H2,1H3
InChIKeyXMXRHFOZXAYATC-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds4

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

N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine (PubChem CID 62803472) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
PubChem CID62803472
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1COCCO1
InChIInChI=1S/C12H21NO2/c1-2-13-12(10-5-3-4-6-10)11-9-14-7-8-15-11/h5,11-13H,2-4,6-9H2,1H3
InChIKeyXMXRHFOZXAYATC-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
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]ethanamine?
The IUPAC name of N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine (CID 62803472) is N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine is CCNC(C1=CCCC1)C1COCCO1.
What is the InChIKey of N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine?
The InChIKey is XMXRHFOZXAYATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-13-12(10-5-3-4-6-10)11-9-14-7-8-15-11/h5,11-13H,2-4,6-9H2,1H3.
What are the key properties of N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine?
N-[cyclopenten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 4 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]ethanamine is sourced from PubChem (CID 62803472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).