1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine

C16H18N2 — CID 79739958

IUPAC1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(C2CCc3cccnc32)c1
InChIInChI=1S/C16H18N2/c1-17-11-12-4-2-5-14(10-12)15-8-7-13-6-3-9-18-16(13)15/h2-6,9-10,15,17H,7-8,11H2,1H3
InChIKeyFWCSAWWHDRYLHK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.88
Rot. Bonds3

About 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine

1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine (PubChem CID 79739958) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine
PubChem CID79739958
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(C2CCc3cccnc32)c1
InChIInChI=1S/C16H18N2/c1-17-11-12-4-2-5-14(10-12)15-8-7-13-6-3-9-18-16(13)15/h2-6,9-10,15,17H,7-8,11H2,1H3
InChIKeyFWCSAWWHDRYLHK-UHFFFAOYSA-N
XLogP2.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79748066
1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine
CID 79739450
N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine
CID 79739248
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylpyridazin-3-amine
CID 79740307
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078877
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine
CID 79722455
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine
CID 79721454
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate
CID 99842190
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylpyrimidin-4-amine
CID 80936065

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine (CID 79739958) is 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine is CNCc1cccc(C2CCc3cccnc32)c1.
What is the InChIKey of 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine?
The InChIKey is FWCSAWWHDRYLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-17-11-12-4-2-5-14(10-12)15-8-7-13-6-3-9-18-16(13)15/h2-6,9-10,15,17H,7-8,11H2,1H3.
What are the key properties of 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine?
1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine has a molecular weight of 238.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79739958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).