1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine

C17H20N2 — CID 79739450

IUPAC1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(C2CCc3cccnc32)cc1
InChIInChI=1S/C17H20N2/c1-2-16(18)13-7-5-12(6-8-13)15-10-9-14-4-3-11-19-17(14)15/h3-8,11,15-16H,2,9-10,18H2,1H3
InChIKeyKQXCEVHZURQWED-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.57
Rot. Bonds3

About 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine

1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine (PubChem CID 79739450) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine
PubChem CID79739450
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(C2CCc3cccnc32)cc1
InChIInChI=1S/C17H20N2/c1-2-16(18)13-7-5-12(6-8-13)15-10-9-14-4-3-11-19-17(14)15/h3-8,11,15-16H,2,9-10,18H2,1H3
InChIKeyKQXCEVHZURQWED-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethanamine
CID 79747927
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-propylpyrimidin-4-amine
CID 79739685
1-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]-N-methylmethanamine
CID 79739958
7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739769
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one
CID 116554606
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethylphenyl)methanamine
CID 105009866
N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine
CID 79739248
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-propylpentan-1-amine
CID 105009869
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylpyrimidin-4-amine
CID 80936065
2-butan-2-ylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine (CID 79739450) is 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine is CCC(N)c1ccc(C2CCc3cccnc32)cc1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine?
The InChIKey is KQXCEVHZURQWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-16(18)13-7-5-12(6-8-13)15-10-9-14-4-3-11-19-17(14)15/h3-8,11,15-16H,2,9-10,18H2,1H3.
What are the key properties of 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine?
1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine is sourced from PubChem (CID 79739450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).