1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

C11H19NO2 — CID 62803471

IUPAC1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCC1)C1COCCO1
InChIInChI=1S/C11H19NO2/c1-12-11(9-4-2-3-5-9)10-8-13-6-7-14-10/h4,10-12H,2-3,5-8H2,1H3
InChIKeyWYCGGOZBOIYYEO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds3

About 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 62803471) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID62803471
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCC1)C1COCCO1
InChIInChI=1S/C11H19NO2/c1-12-11(9-4-2-3-5-9)10-8-13-6-7-14-10/h4,10-12H,2-3,5-8H2,1H3
InChIKeyWYCGGOZBOIYYEO-UHFFFAOYSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.10
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 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 62803471) is 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is CNC(C1=CCCC1)C1COCCO1.
What is the InChIKey of 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is WYCGGOZBOIYYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-11(9-4-2-3-5-9)10-8-13-6-7-14-10/h4,10-12H,2-3,5-8H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62803471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).