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

C17H26N2 — CID 79738960

IUPAC3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(C2CCc3cccnc32)C1
InChIInChI=1S/C17H26N2/c1-2-18-15-8-4-3-6-14(12-15)16-10-9-13-7-5-11-19-17(13)16/h5,7,11,14-16,18H,2-4,6,8-10,12H2,1H3
InChIKeyZDHOTGHMLXXNBN-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.67
Rot. Bonds3

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

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine (PubChem CID 79738960) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine
PubChem CID79738960
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(C2CCc3cccnc32)C1
InChIInChI=1S/C17H26N2/c1-2-18-15-8-4-3-6-14(12-15)16-10-9-13-7-5-11-19-17(13)16/h5,7,11,14-16,18H,2-4,6,8-10,12H2,1H3
InChIKeyZDHOTGHMLXXNBN-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylcyclopentan-1-amine
CID 79738593
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79737789
7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738397
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one
CID 79738183
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748412
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79748066
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylethanamine
CID 79748078
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine (CID 79738960) is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine is CCNC1CCCCC(C2CCc3cccnc32)C1.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine?
The InChIKey is ZDHOTGHMLXXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-18-15-8-4-3-6-14(12-15)16-10-9-13-7-5-11-19-17(13)16/h5,7,11,14-16,18H,2-4,6,8-10,12H2,1H3.
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine?
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 79738960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).