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

C16H26N2O — CID 116726873

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(C1CCc2cccnc21)C(C)(C)OCC
InChIInChI=1S/C16H26N2O/c1-5-17-15(16(3,4)19-6-2)13-10-9-12-8-7-11-18-14(12)13/h7-8,11,13,15,17H,5-6,9-10H2,1-4H3
InChIKeyJYZZANUMUBDAHQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.90
Rot. Bonds6

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

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine (PubChem CID 116726873) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
PubChem CID116726873
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(C1CCc2cccnc21)C(C)(C)OCC
InChIInChI=1S/C16H26N2O/c1-5-17-15(16(3,4)19-6-2)13-10-9-12-8-7-11-18-14(12)13/h7-8,11,13,15,17H,5-6,9-10H2,1-4H3
InChIKeyJYZZANUMUBDAHQ-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759140
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
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-3,3,3-trifluoropropan-1-amine
CID 79747811
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105009967
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 79740041
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

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine (CID 116726873) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine is CCNC(C1CCc2cccnc21)C(C)(C)OCC.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
The InChIKey is JYZZANUMUBDAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-17-15(16(3,4)19-6-2)13-10-9-12-8-7-11-18-14(12)13/h7-8,11,13,15,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.90, 6 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-methylpropan-1-amine is sourced from PubChem (CID 116726873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).