1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine

C17H28N2O — CID 116759140

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(C1CCc2cccnc21)C(C)(CC)OCC
InChIInChI=1S/C17H28N2O/c1-5-17(4,20-7-3)16(18-6-2)14-11-10-13-9-8-12-19-15(13)14/h8-9,12,14,16,18H,5-7,10-11H2,1-4H3
InChIKeyWOFAEAKCRNSEIM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.29
Rot. Bonds7

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine (PubChem CID 116759140) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
PubChem CID116759140
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(C1CCc2cccnc21)C(C)(CC)OCC
InChIInChI=1S/C17H28N2O/c1-5-17(4,20-7-3)16(18-6-2)14-11-10-13-9-8-12-19-15(13)14/h8-9,12,14,16,18H,5-7,10-11H2,1-4H3
InChIKeyWOFAEAKCRNSEIM-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726873
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761197
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-ethoxy-N-ethylpropan-1-amine
CID 105166170
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105166002
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine
CID 79748328
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79747811
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-ethyl-2,3-dimethylbutan-1-amine
CID 105009967
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 79748872
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-propylpropan-1-amine
CID 79747833
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 105166115

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine (CID 116759140) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine is CCNC(C1CCc2cccnc21)C(C)(CC)OCC.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
The InChIKey is WOFAEAKCRNSEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17(4,20-7-3)16(18-6-2)14-11-10-13-9-8-12-19-15(13)14/h8-9,12,14,16,18H,5-7,10-11H2,1-4H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.29, 7 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)-2-ethoxy-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 116759140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).