6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine

C16H21F3N2 — CID 105166161

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1CCC(C(F)(F)F)CC1)C1CCc2cccnc21
InChIInChI=1S/C16H21F3N2/c17-16(18,19)12-6-3-10(4-7-12)14(20)13-8-5-11-2-1-9-21-15(11)13/h1-2,9-10,12-14H,3-8,20H2
InChIKeyGGSIJRMOVPPEOW-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.81
Rot. Bonds2

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105166161) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105166161
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1CCC(C(F)(F)F)CC1)C1CCc2cccnc21
InChIInChI=1S/C16H21F3N2/c17-16(18,19)12-6-3-10(4-7-12)14(20)13-8-5-11-2-1-9-21-15(11)13/h1-2,9-10,12-14H,3-8,20H2
InChIKeyGGSIJRMOVPPEOW-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105166161) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine is NC(C1CCC(C(F)(F)F)CC1)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is GGSIJRMOVPPEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-16(18,19)12-6-3-10(4-7-12)14(20)13-8-5-11-2-1-9-21-15(11)13/h1-2,9-10,12-14H,3-8,20H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 298.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105166161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).