cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

C17H26N2 — CID 80604020

IUPACcyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(C1CCCCCCC1)C1CCc2cccnc21
InChIInChI=1S/C17H26N2/c18-16(13-7-4-2-1-3-5-8-13)15-11-10-14-9-6-12-19-17(14)15/h6,9,12-13,15-16H,1-5,7-8,10-11,18H2
InChIKeyINOKVJWDCAPYIN-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.80
Rot. Bonds2

About cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (PubChem CID 80604020) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.

Molecular Properties

Compound Namecyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
PubChem CID80604020
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Namecyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(C1CCCCCCC1)C1CCc2cccnc21
InChIInChI=1S/C17H26N2/c18-16(13-7-4-2-1-3-5-8-13)15-11-10-14-9-6-12-19-17(14)15/h6,9,12-13,15-16H,1-5,7-8,10-11,18H2
InChIKeyINOKVJWDCAPYIN-UHFFFAOYSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105166161
[cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105255149
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine
CID 79747770
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,2-dimethylcyclopropyl)methanamine
CID 107004734
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylcyclohexyl)methanamine
CID 106830346
5,6,7,8-tetrahydroquinolin-8-yl(thiolan-3-yl)methanamine
CID 105164783
[2-cyclohexyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methoxyethyl]hydrazine
CID 105278691
1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 79973803
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
6-bicyclo[3.1.0]hexanyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 115819421
5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105007390
[cyclobutyl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105224521

Frequently Asked Questions

What is the IUPAC name of cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The IUPAC name of cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (CID 80604020) is cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.
What is the SMILES notation for cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The canonical SMILES for cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is NC(C1CCCCCCC1)C1CCc2cccnc21.
What is the InChIKey of cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The InChIKey is INOKVJWDCAPYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-16(13-7-4-2-1-3-5-8-13)15-11-10-14-9-6-12-19-17(14)15/h6,9,12-13,15-16H,1-5,7-8,10-11,18H2.
What are the key properties of cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is sourced from PubChem (CID 80604020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).