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

C13H23NO2 — CID 62803654

IUPAC1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)C1COCCO1
InChIInChI=1S/C13H23NO2/c1-14-13(12-10-15-8-9-16-12)11-6-4-2-3-5-7-11/h6,12-14H,2-5,7-10H2,1H3
InChIKeyDIAPINXDADGDFB-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.88
Rot. Bonds3

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

1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 62803654) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID62803654
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)C1COCCO1
InChIInChI=1S/C13H23NO2/c1-14-13(12-10-15-8-9-16-12)11-6-4-2-3-5-7-11/h6,12-14H,2-5,7-10H2,1H3
InChIKeyDIAPINXDADGDFB-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

N-[cyclohexen-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 55048190
N-[cyclohepten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
CID 55119665
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62078549
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62078853
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 62212633
N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine
CID 62212634
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 62212813
N-[cyclopenten-1-yl(oxan-2-yl)methyl]ethanamine
CID 62212814
N-[cyclopenten-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 62212991
Cyclohepten-1-yl(oxan-2-yl)methanamine
CID 62212992
N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 62213177
Cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine
CID 62803285

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 62803654) is 1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is CNC(C1=CCCCCC1)C1COCCO1.
What is the InChIKey of 1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is DIAPINXDADGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14-13(12-10-15-8-9-16-12)11-6-4-2-3-5-7-11/h6,12-14H,2-5,7-10H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 225.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62803654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).