1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine

C10H13F3N2 — CID 175598037

IUPAC1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine
SMILESCN1C2=C(C=CC1C(F)(F)F)C(N)CC2
InChIInChI=1S/C10H13F3N2/c1-15-8-4-3-7(14)6(8)2-5-9(15)10(11,12)13/h2,5,7,9H,3-4,14H2,1H3
InChIKeyNOARRQYDZSJSRW-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.79
Rot. Bonds

About 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine

1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine (PubChem CID 175598037) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine
PubChem CID175598037
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine
SMILESCN1C2=C(C=CC1C(F)(F)F)C(N)CC2
InChIInChI=1S/C10H13F3N2/c1-15-8-4-3-7(14)6(8)2-5-9(15)10(11,12)13/h2,5,7,9H,3-4,14H2,1H3
InChIKeyNOARRQYDZSJSRW-UHFFFAOYSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine?
The IUPAC name of 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine (CID 175598037) is 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine is CN1C2=C(C=CC1C(F)(F)F)C(N)CC2.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine?
The InChIKey is NOARRQYDZSJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-15-8-4-3-7(14)6(8)2-5-9(15)10(11,12)13/h2,5,7,9H,3-4,14H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine?
1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine has a molecular weight of 218.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[b]pyridin-5-amine is sourced from PubChem (CID 175598037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).