1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

C14H20N2O2 — CID 113250532

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(C1COCCO1)C1CCc2cccnc21
InChIInChI=1S/C14H20N2O2/c1-15-14(12-9-17-7-8-18-12)11-5-4-10-3-2-6-16-13(10)11/h2-3,6,11-12,14-15H,4-5,7-9H2,1H3
InChIKeyYICSBOZYHZYBOU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds3

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 113250532) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID113250532
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(C1COCCO1)C1CCc2cccnc21
InChIInChI=1S/C14H20N2O2/c1-15-14(12-9-17-7-8-18-12)11-5-4-10-3-2-6-16-13(10)11/h2-3,6,11-12,14-15H,4-5,7-9H2,1H3
InChIKeyYICSBOZYHZYBOU-UHFFFAOYSA-N
XLogP1.11
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105009602
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 79740244
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 115336720
N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007360
N-methyl-1-(4-methylcyclohexyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748851
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
1-(5-chlorofuran-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 106692576
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105009718
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105009975
3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine
CID 65352984
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 113250532) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is CNC(C1COCCO1)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is YICSBOZYHZYBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-14(12-9-17-7-8-18-12)11-5-4-10-3-2-6-16-13(10)11/h2-3,6,11-12,14-15H,4-5,7-9H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 113250532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).