1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

C17H28N2O2 — CID 102928601

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)C1CCc2cccnc21
InChIInChI=1S/C17H28N2O2/c1-3-9-18-16(8-11-21-13-12-20-2)15-7-6-14-5-4-10-19-17(14)15/h4-5,10,15-16,18H,3,6-9,11-13H2,1-2H3
InChIKeySQSLDDHTLSNDQT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.53
Rot. Bonds10

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (PubChem CID 102928601) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
PubChem CID102928601
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)C1CCc2cccnc21
InChIInChI=1S/C17H28N2O2/c1-3-9-18-16(8-11-21-13-12-20-2)15-7-6-14-5-4-10-19-17(14)15/h4-5,10,15-16,18H,3,6-9,11-13H2,1-2H3
InChIKeySQSLDDHTLSNDQT-UHFFFAOYSA-N
XLogP2.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748513
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',N'-diethyl-N-propylpropane-1,3-diamine
CID 79739951
N-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79732011
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-propylpropan-1-amine
CID 79747833
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
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-3-pyridin-2-ylpropan-1-amine
CID 105166115
N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine
CID 116723952
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)-2-methoxyethanamine
CID 79747968
N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 103444802

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (CID 102928601) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is CCCNC(CCOCCOC)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The InChIKey is SQSLDDHTLSNDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-9-18-16(8-11-21-13-12-20-2)15-7-6-14-5-4-10-19-17(14)15/h4-5,10,15-16,18H,3,6-9,11-13H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 2.53, 10 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)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 102928601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).