1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine

C16H26N2O2 — CID 79748328

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine
SMILESCCNC(C(OCC)OCC)C1CCc2cccnc21
InChIInChI=1S/C16H26N2O2/c1-4-17-15(16(19-5-2)20-6-3)13-10-9-12-8-7-11-18-14(12)13/h7-8,11,13,15-17H,4-6,9-10H2,1-3H3
InChIKeyQRMSEINUNVLYAL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.49
Rot. Bonds8

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine (PubChem CID 79748328) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine
PubChem CID79748328
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine
SMILESCCNC(C(OCC)OCC)C1CCc2cccnc21
InChIInChI=1S/C16H26N2O2/c1-4-17-15(16(19-5-2)20-6-3)13-10-9-12-8-7-11-18-14(12)13/h7-8,11,13,15-17H,4-6,9-10H2,1-3H3
InChIKeyQRMSEINUNVLYAL-UHFFFAOYSA-N
XLogP2.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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)-2-ethoxy-N-propylpropan-1-amine
CID 79747833
N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine
CID 116723952
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)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726873
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-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759140
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,2-diethyl-2-methoxybutan-1-amine
CID 116761197
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782
2-ethoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79747758
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79747811

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine (CID 79748328) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine is CCNC(C(OCC)OCC)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine?
The InChIKey is QRMSEINUNVLYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-17-15(16(19-5-2)20-6-3)13-10-9-12-8-7-11-18-14(12)13/h7-8,11,13,15-17H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine is sourced from PubChem (CID 79748328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).