N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine

C18H22N2O — CID 114783197

IUPACN-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine
SMILESc1ccc(CNCCCOc2ccc3c(n2)CCC3)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-15(7-3-1)14-19-12-5-13-21-18-11-10-16-8-4-9-17(16)20-18/h1-3,6-7,10-11,19H,4-5,8-9,12-14H2
InChIKeyZUALHDDLVYRLOW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.13
Rot. Bonds7

About N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine

N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine (PubChem CID 114783197) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine
PubChem CID114783197
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine
SMILESc1ccc(CNCCCOc2ccc3c(n2)CCC3)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-15(7-3-1)14-19-12-5-13-21-18-11-10-16-8-4-9-17(16)20-18/h1-3,6-7,10-11,19H,4-5,8-9,12-14H2
InChIKeyZUALHDDLVYRLOW-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
CID 114783188
N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390795
2-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 141400148
N-benzyl-3-(1,3,4-thiadiazol-2-yloxy)propan-1-amine
CID 114783212
2-phenoxy-5,6,7,8-tetrahydroquinoline
CID 141121654
N-benzyl-3-(5-iodopyrimidin-2-yl)oxypropan-1-amine
CID 114783146
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine
CID 62936269
N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
CID 75529792
N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783127
N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine
CID 114783181

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine?
The IUPAC name of N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine (CID 114783197) is N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine?
The canonical SMILES for N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine is c1ccc(CNCCCOc2ccc3c(n2)CCC3)cc1.
What is the InChIKey of N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine?
The InChIKey is ZUALHDDLVYRLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-15(7-3-1)14-19-12-5-13-21-18-11-10-16-8-4-9-17(16)20-18/h1-3,6-7,10-11,19H,4-5,8-9,12-14H2.
What are the key properties of N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine?
N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine is sourced from PubChem (CID 114783197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).