1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine

C17H20N2 — CID 79745140

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)C2CCc3cccnc32)c1
InChIInChI=1S/C17H20N2/c1-12-5-3-7-14(11-12)17(2,18)15-9-8-13-6-4-10-19-16(13)15/h3-7,10-11,15H,8-9,18H2,1-2H3
InChIKeyFJUXVWKSJXXNAN-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.29
Rot. Bonds2

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine (PubChem CID 79745140) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine
PubChem CID79745140
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)C2CCc3cccnc32)c1
InChIInChI=1S/C17H20N2/c1-12-5-3-7-14(11-12)17(2,18)15-9-8-13-6-4-10-19-16(13)15/h3-7,10-11,15H,8-9,18H2,1-2H3
InChIKeyFJUXVWKSJXXNAN-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Lanicemine
CID 9794203
Indole, 3-((4-methylpiperidino)methyl)-
CID 30438
Midaglizole
CID 68864
4-(Pyridin-2-yl)aniline
CID 459518
N-Desmethylpheniramine
CID 161283
Dimetindene, (R)-
CID 12963076
(+)-Dimethindene
CID 6604866
2-Phenylpyridin-4-amine
CID 2762833
3-(Pyridin-3-yl)aniline
CID 459521

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine (CID 79745140) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine is Cc1cccc(C(C)(N)C2CCc3cccnc32)c1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine?
The InChIKey is FJUXVWKSJXXNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-5-3-7-14(11-12)17(2,18)15-9-8-13-6-4-10-19-16(13)15/h3-7,10-11,15H,8-9,18H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 79745140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).