1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

C15H22N2O — CID 105009602

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(C1CCC(C)O1)C1CCc2cccnc21
InChIInChI=1S/C15H22N2O/c1-10-5-8-13(18-10)15(16-2)12-7-6-11-4-3-9-17-14(11)12/h3-4,9-10,12-13,15-16H,5-8H2,1-2H3
InChIKeyROAVBSQWTNUKFZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.27
Rot. Bonds3

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (PubChem CID 105009602) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
PubChem CID105009602
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(C1CCC(C)O1)C1CCc2cccnc21
InChIInChI=1S/C15H22N2O/c1-10-5-8-13(18-10)15(16-2)12-7-6-11-4-3-9-17-14(11)12/h3-4,9-10,12-13,15-16H,5-8H2,1-2H3
InChIKeyROAVBSQWTNUKFZ-UHFFFAOYSA-N
XLogP2.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 113250532
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-methyl-1-(4-methylcyclohexyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748851
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105009975
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
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine
CID 80621797
[cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105255149
2-(4-chlorophenoxy)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 105166131

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (CID 105009602) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is CNC(C1CCC(C)O1)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The InChIKey is ROAVBSQWTNUKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-5-8-13(18-10)15(16-2)12-7-6-11-4-3-9-17-14(11)12/h3-4,9-10,12-13,15-16H,5-8H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine has a molecular weight of 246.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105009602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).